SCHEMBL686427

SCHEMBL686427

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
PLK1 P53350 1/20 0.50
LIPC P11150 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
KDM1A O60341 1/20 0.48
CCR2 P41597 4/20 0.48
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
SORT1 Q99523 3/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
SERPINE1 P05121 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 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
SCHEMBL22519300 0.89 RXFP1 (0.47) RXFP1PLK1LIPCLIPGKDM1A
SCHEMBL1452551 0.89 GRIK1 (0.55) RXFP1KDM1AAKR1C3AKR1C2KDM4E
SCHEMBL1138788 0.88 RXFP1 (0.57) RXFP1CCR2KDM4EALDH1A1HPGD
SCHEMBL25026713 0.86 RXFP1 (0.59) RXFP1PLK1CCR2KDM4ELMNA
SCHEMBL14555701 0.86 RXFP1 (0.56) RXFP1PLK1CCR2CYP2C19LMNA
SCHEMBL30137413 0.86 RXFP1 (0.59) RXFP1PLK1CCR2KDM4ELMNA
SCHEMBL25354212 0.86 RXFP1 (0.59) RXFP1AKR1C3AKR1C2MPO
SCHEMBL25358000 0.86 RXFP1 (0.48) RXFP1PLK1LIPCLIPGKDM1A
SCHEMBL25354163 0.86 RXFP1 (0.48) RXFP1PLK1LIPCLIPGKDM1A
SCHEMBL24095743 0.86 RXFP1 (0.58) RXFP1CCR2LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
EP-1667966-B1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 CN disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed
CN-1384743-A Remedies or preventives for diseases in association with chemokines TEIJIN LTD (JP) 2002-12-11 CN disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed
CN-1279668-A Cyclic amine derivatives and their use as pharmaceuticals TEIJIN LTD (JP) 2001-01-10 CN disclosed
WO-2000069815-A1 UREIDO-SUBSTITUTED CYCLIC AMINE DERIVATIVES AND THEIR USE AS DRUG TEIJIN LIMITED (JP) 2000-11-23 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 (3 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-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 RXFP1 74/4885PLK1 4448/4885LIPC 2777/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD RXFP1 4867/4885PLK1 2959/4885LIPC 549/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD RXFP1 4867/4885PLK1 2959/4885LIPC 549/4885

“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.