SCHEMBL506455

SCHEMBL506455

COc1cc(CBr)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.61
PPARA Q07869 1/20 0.61
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
LDHA P00338 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CFD P00746 1/20 0.45
MAPT P10636 1/20 0.45
CYP4F2 P78329 1/20 0.44

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
SCHEMBL7597341 0.88 MRGPRX4 (0.57) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL27481259 0.87 PPARG (0.67) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL18310131 0.86 SMN1; SMN2 (0.47) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL6866012 0.86 PPARG (0.65) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL2772618 0.85 HTT (0.48) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL5501065 0.84 PPARG (0.68) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL3914968 0.84 PPARG (0.63) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL6951107 0.83 SMN1; SMN2 (0.51) PPARGPPARAALDH1A1HTTLMNA
SCHEMBL7605944 0.83 TSHR (0.53) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL6403165 0.83 CFD (0.62) PPARGPPARAALDH1A1KDM4EHPGD

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
CN-104854105-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2017-05-17 CN disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
EP-0777492-A1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORPORATION (US) 1997-06-11 EP disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
WO-1996040201-A1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed
EP-0636609-A1 1-Benzyl-1,3-dihydro-indol-2-one derivatives, their preparation, the pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO 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 (6 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2583/4885PPARA 3208/4885ALDH1A1 2407/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2583/4885PPARA 3208/4885ALDH1A1 2407/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2658/4885PPARA 3325/4885ALDH1A1 2371/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2583/4885PPARA 3208/4885ALDH1A1 2407/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2583/4885PPARA 3208/4885ALDH1A1 2407/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PPARG 2583/4885PPARA 3208/4885ALDH1A1 2407/4885

“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.