SCHEMBL3744086

SCHEMBL3744086

O=C(N[C@H]1CC=CC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
CPB1 P15086 2/20 0.54
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 1/20 0.49
EPHX1 P07099 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL7114434 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL13198668 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL6027318 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL6182604 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL417696 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL4261374 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4261378 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4083202 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5029572 0.89 TSHR (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5029578 0.89 TSHR (0.57) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
EP-2098508-B1 Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 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 (8 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 ALDH1A1 4446/4885GAA 1585/4885CPB1 2601/4885
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1039/4885GAA 4563/4885CPB1 925/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 827/4885GAA 4005/4885CPB1 764/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885CPB1 865/4885

“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.