SCHEMBL3751126

SCHEMBL3751126

COc1ccc(-c2coc(C(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.58
PTGER4 P35408 2/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RXRA P19793 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 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
SCHEMBL13078468 0.87 NR4A2 (0.50) NR4A2PTGER4ALDH1A1HPGDKDM4E
SCHEMBL13044164 0.83 NR4A2 (0.47) NR4A2PTGER4ALDH1A1HPGDKDM4E
SCHEMBL29742870 0.83 ALDH1A1 (0.52) PTGER4ALDH1A1HPGDPOLB
SCHEMBL28924003 0.83 ALDH1A1 (0.52) PTGER4ALDH1A1HPGDPOLB
SCHEMBL3542072 0.82 PTGER4 (0.80) NR4A2PTGER4POLBSMN1; SMN2NPC1
SCHEMBL11281901 0.81 NR4A2 (0.52) NR4A2PTGER4ALDH1A1HPGDKDM4E
SCHEMBL16693555 0.81 MCL1 (0.47) PTGER4ALDH1A1HPGDKDM4EMAPT
SCHEMBL3737353 0.78 PTGER4 (0.57) PTGER4ALDH1A1HPGD
SCHEMBL5157713 0.78 NR4A2 (0.46) NR4A2PTGER4ALDH1A1HPGDKDM4E
SCHEMBL27605346 0.77 PTGER4 (0.77) NR4A2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US 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
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP 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
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 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 (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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NR4A2 1110/4885PTGER4 218/4885ALDH1A1 1402/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 NR4A2 1546/4885PTGER4 355/4885ALDH1A1 827/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 NR4A2 1110/4885PTGER4 218/4885ALDH1A1 1402/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NR4A2 1110/4885PTGER4 218/4885ALDH1A1 1402/4885

“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.