SCHEMBL10199720

SCHEMBL10199720

CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TACR1 P25103 4/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
KIF11 P52732 1/20 0.36
CES2 O00748 1/20 0.35
S1PR1 P21453 1/20 0.34
CETP P11597 1/20 0.34
CCR2 P41597 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
RAPGEF3 O95398 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL437277 0.91 TACR1 (0.42) TACR1IDO1TDO2CES2S1PR1
SCHEMBL377542 0.89 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MAPTPOLB
SCHEMBL25567219 0.87 TACR1 (0.38) TACR1IDO1TDO2CES2S1PR1
SCHEMBL16849153 0.87 GABRA1 (0.39) GABRA1GABRB2MAPTPOLB
SCHEMBL15723306 0.87 GABRA1 (0.39) GABRA1GABRB2MAPTPOLB
SCHEMBL10629252 0.86 TACR1 (0.39) GABRA1GABRB2TACR1IDO1TDO2
SCHEMBL7085860 0.84 GABRA1 (0.42) GABRA1GABRB2ALDH1A1MAPTPOLB
SCHEMBL16259685 0.83 PDE2A (0.44) GABRA1GABRB2POLB
SCHEMBL16259688 0.83 AR (0.39) TACR1IDO1TDO2CES2S1PR1
SCHEMBL22861023 0.83 GABRB2 (0.52) GABRA1GABRB2TACR1IDO1KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 US disclosed
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2021-01-07 US disclosed
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
US-8946446-B2 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2015-02-03 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-05-22 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC GABRA1 277/4885GABRB2 275/4885TACR1 1154/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885TACR1 4578/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC GABRA1 261/4885GABRB2 342/4885TACR1 982/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885TACR1 4578/4885
US-20210002261-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B GABRA1 2892/4885GABRB2 3388/4885TACR1 4578/4885
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 GABRA1 491/4885GABRB2 539/4885TACR1 34/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC GABRA1 256/4885GABRB2 313/4885TACR1 1185/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 GABRA1 2619/4885GABRB2 2292/4885TACR1 4222/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC GABRA1 273/4885GABRB2 345/4885TACR1 1002/4885
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC GABRA1 256/4885GABRB2 249/4885TACR1 870/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.