SCHEMBL7435568

SCHEMBL7435568

Nc1cccc(CCC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
CPB2 Q96IY4 1/20 0.43
BACE1 P56817 3/20 0.42
APP P05067 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
FFAR1 O14842 4/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
MCL1 Q07820 1/20 0.40
CHRM1 P11229 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
SLC15A1 P46059 1/20 0.39
DHFR P00374 1/20 0.38

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
SCHEMBL7437968 0.89 SMN1; SMN2 (0.47) CPB2BACE1APPNOS1NOS2
SCHEMBL26547322 0.88 MAPT (0.47) CPB2
SCHEMBL6783633 0.86 KEAP1 (0.52) KEAP1FFAR1CHRM1
SCHEMBL20366142 0.81 KEAP1 (0.44) KEAP1FFAR1CHRM1PLA2G10PLA2G2A
SCHEMBL7797441 0.81 ALDH1A1 (0.50) BACE1NOS2ITGB3ITGAVITGA2B
SCHEMBL2731062 0.81 GABRA5 (0.47) CPB2BACE1APP
SCHEMBL29781523 0.81 GABRA5 (0.47) CPB2BACE1APP
SCHEMBL18989631 0.80 KDM4E (0.46) BACE1NOS1NOS2
Hydrochloric Acid SCHEMBL5471608 0.79 GABRA5 (0.46) CPB2BACE1APP
SCHEMBL5174055 0.79 NOS1 (0.44) CPB2BACE1APPNOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5255253-A None JP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
US-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5548077-A REACTING WITH CARBOHYDRATE COMPOUND TO FORM SCHIFF BASE, REDUCING SCHIFF BASE SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-20 US disclosed
EP-0677043-A4 1995-11-22 EP disclosed
EP-0677043-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
US-5386033-A 2-aminopyridine compounds SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1995-01-31 US disclosed
WO-1994014775-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
JP-H05255253-A 2-AMINOPYRIDINE DERIVATIVE, PRODUCTION THEREOF AND FLUORESCENT MARKING AGENT SEIKAGAKU KOGYO CO LTD 1993-10-05 JP 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 (1 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL KEAP1 3496/4885CPB2 1139/4885BACE1 1005/4885

“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.