SCHEMBL16259602

SCHEMBL16259602

COc1cc(C(C)C)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
ACHE P22303 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL13449501 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2POLBHPGDTSHR
SCHEMBL19590554 0.84 CNR1 (0.41) ALDH1A1SMN1; SMN2POLBHPGDACHE
SCHEMBL16259603 0.83 ACHE (0.41) ALDH1A1SMN1; SMN2POLBHPGDTSHR
SCHEMBL12932819 0.80 MEP1B (0.56) ALDH1A1SMN1; SMN2POLBACHEMEN1
SCHEMBL16259569 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBHPGDCA1
SCHEMBL16259580 0.80 CNR1 (0.41) ALDH1A1SMN1; SMN2POLBHPGDACHE
SCHEMBL16259643 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBHPGDTSHR
SCHEMBL13450384 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBHPGDTSHR
SCHEMBL16259574 0.78 TRPV4 (0.46) ALDH1A1SMN1; SMN2POLBHPGDTSHR
SCHEMBL16259891 0.78 CNR1 (0.43) ALDH1A1SMN1; SMN2POLBHPGDMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

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

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 2097/4885SMN1; SMN2 3179/4885POLB 2190/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC ALDH1A1 688/4885SMN1; SMN2 1481/4885POLB 3159/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC ALDH1A1 1474/4885SMN1; SMN2 884/4885POLB 3229/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC ALDH1A1 671/4885SMN1; SMN2 1570/4885POLB 3196/4885

“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.