SCHEMBL3741650

SCHEMBL3741650

COc1cccc(-c2ccc(C(=O)O)o2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.67
NR4A1 P22736 1/20 0.63
NR4A2 P43354 1/20 0.63
NR4A3 Q92570 1/20 0.63
ALDH1A1 P00352 6/20 0.61
HPGD P15428 5/20 0.61
MAPT P10636 2/20 0.58
ABCB1 P08183 1/20 0.54
C3AR1 Q16581 1/20 0.53
KDM4E B2RXH2 4/20 0.52
PTGER4 P35408 1/20 0.52
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GPR35 Q9HC97 1/20 0.50
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RPA1 P27694 1/20 0.49

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
SCHEMBL13078464 0.88 SLC9A1 (0.67) SLC9A1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL4939182 0.86 SLC9A1 (0.65) SLC9A1ALDH1A1HPGDMAPTABCB1
SCHEMBL6669312 0.86 SLC9A1 (0.73) SLC9A1ALDH1A1HPGDMAPTABCB1
SCHEMBL13044133 0.84 SLC9A1 (0.62) SLC9A1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL15428864 0.81 MMP13 (0.65) ALDH1A1HPGDUSP2CYP3A4
SCHEMBL244341 0.81 NR4A1 (0.67) SLC9A1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL4896906 0.80 ALDH1A1 (0.66) NR4A2ALDH1A1HPGDMAPTKDM4E
SCHEMBL28758613 0.79 ALDH1A1 (0.81) SLC9A1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL13868354 0.79 CASR (0.64) SLC9A1NR4A1NR4A2NR4A3C3AR1
SCHEMBL13269280 0.79 NR4A1 (0.60) NR4A1NR4A2NR4A3ALDH1A1HPGD

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-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656345-A1 CYCLIC 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 SLC9A1 773/4885NR4A1 684/4885NR4A2 1110/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 SLC9A1 473/4885NR4A1 1076/4885NR4A2 1546/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 SLC9A1 773/4885NR4A1 684/4885NR4A2 1110/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 SLC9A1 773/4885NR4A1 684/4885NR4A2 1110/4885

“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.