SCHEMBL8773286

SCHEMBL8773286

CCc1ccc(F)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
BACE1 P56817 1/20 0.39
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
GAA P10253 2/20 0.36
GCGR P47871 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8205755 0.85 TRPA1 (0.43) TRPA1BACE1MAPK1CYP1A2CYP2A6
SCHEMBL28182676 0.85 CYP4F2 (0.47) CYP4F2CYP4A11MAPK1MAP2K4MAPKAPK2
SCHEMBL18361611 0.84 CNR1 (0.46) CYP4F2CYP4A11BACE1MAPK1MAP2K4
SCHEMBL12101003 0.84 TRPA1 (0.41) TRPA1CYP4F2CYP4A11BACE1CYP1A2
SCHEMBL13617385 0.83 CYP4F2 (0.51) CYP4F2CYP4A11BACE1MAPK1CYP1A2
SCHEMBL8771711 0.83 TRPA1 (0.43) TRPA1CYP4F2CYP4A11BACE1CYP1A2
SCHEMBL12763609 0.81 TRPA1 (0.40) TRPA1BACE1MAPK1CYP1A2CYP2A6
SCHEMBL8770880 0.80 TRPA1 (0.48) TRPA1BACE1MAPK1CYP1A2CYP2A6
SCHEMBL8067416 0.79 CYP4F2 (0.36) CYP4F2CYP4A11MAPK1MAP2K4MAPKAPK2
SCHEMBL13226806 0.79 TRPA1 (0.39) TRPA1BACE1MAPK1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-02-02 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010091996-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R TRPA1 3260/4885CYP4F2 111/4885CYP4A11 50/4885
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TRPA1 3260/4885CYP4F2 111/4885CYP4A11 50/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 TRPA1 702/4885CYP4F2 94/4885CYP4A11 68/4885
US-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R TRPA1 1942/4885CYP4F2 967/4885CYP4A11 92/4885

“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.