SCHEMBL3739232

SCHEMBL3739232

N#Cc1cccc(-c2ccc(C(=O)O)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
C3AR1 Q16581 1/20 0.53
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
KDM4E B2RXH2 1/20 0.48
RPA1 P27694 1/20 0.48
FAAH O00519 1/20 0.47
KCNH2 Q12809 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
F11 P03951 1/20 0.45
PIN1 Q13526 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
SCHEMBL13078467 0.87 C3AR1 (0.49) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL13044132 0.83 C3AR1 (0.49) NR4A1NR4A2NR4A3C3AR1XDH
SCHEMBL5963510 0.82 CLK4 (0.53) XDHSLC22A12
SCHEMBL15428855 0.81 CHRM3 (0.57) NR4A1NR4A2NR4A3C3AR1RPA1
SCHEMBL3416828 0.81 ALDH1A1 (0.64) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL1313933 0.78 NR4A1 (0.69) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL31686383 0.78 NR4A1 (0.69) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL13088595 0.77 KCNH2 (0.69) ALDH1A1HPGDKDM4EKCNH2SCN10A
SCHEMBL15428862 0.77 CHRM3 (0.57) NR4A1NR4A2NR4A3KCNH2SCN10A
SCHEMBL3050183 0.76 NR4A1 (1.00) 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 12 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
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO 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

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 NR4A1 684/4885NR4A2 1110/4885NR4A3 1055/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 NR4A1 1076/4885NR4A2 1546/4885NR4A3 1443/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 NR4A1 684/4885NR4A2 1110/4885NR4A3 1055/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NR4A1 684/4885NR4A2 1110/4885NR4A3 1055/4885

“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.