SCHEMBL13468629

SCHEMBL13468629

CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2c1OCCC21CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 15/20 0.36
PTGS2 P35354 15/20 0.36
RORC P51449 1/20 0.33
ALOX5 P09917 11/20 0.32
FFAR1 O14842 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
SCHEMBL13468676 0.90 FFAR1 (0.35) PTGS1PTGS2FFAR1
SCHEMBL13468611 0.89 PTGS2 (0.45) PTGS1PTGS2ALOX5FFAR1
SCHEMBL13468336 0.88 LPL (0.31)
SCHEMBL13468673 0.88
SCHEMBL13268577 0.86 PTGS2 (0.38) PTGS1PTGS2ALOX5FFAR1
SCHEMBL13280470 0.84 PTGS1 (0.34) PTGS1PTGS2ALOX5
SCHEMBL13468811 0.82 LPL (0.31)
SCHEMBL13468751 0.81 PTGS2 (0.49) PTGS1PTGS2ALOX5
SCHEMBL16261297 0.78 LPL (0.31)
SCHEMBL15002067 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800745-B1 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) 2020-02-12 EP 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
EP-2697197-B1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2015-06-03 EP 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-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-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
WO-2013079223-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORϒ, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2013-06-06 WO disclosed
WO-2012139775-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2012-10-18 WO disclosed
EP-2511263-A1 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases Phenex Pharmaceuticals AG (DE) 2012-10-17 EP 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 (2 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 PTGS1 952/4885PTGS2 985/4885RORC 3/4885
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 PTGS1 1105/4885PTGS2 1131/4885RORC 3/4885

“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.