SCHEMBL3889836

SCHEMBL3889836

C=CCNc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.61
LIPG Q9Y5X9 1/20 0.61
CDK2 P24941 3/20 0.49
KDM1A O60341 2/20 0.49
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HCAR3 P49019 1/20 0.45
ASPH Q12797 1/20 0.44
RIOX2 Q8IUF8 1/20 0.44
KDM8 Q8N371 1/20 0.44
MPO P05164 3/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
SORT1 Q99523 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.42

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
SCHEMBL15635834 0.81 LIPC (0.66) LIPCLIPGCDK2KDM1APLK1
SCHEMBL3894930 0.81 LIPC (0.66) LIPCLIPGCDK2KDM1APLK1
SCHEMBL4050847 0.79 ALDH1A1 (0.42) LIPCLIPGKDM4EALDH1A1HPGD
SCHEMBL3885485 0.79 LIPC (0.60) LIPCLIPGCDK2KDM1APLK1
SCHEMBL15636031 0.78 LIPC (0.63) LIPCLIPGCDK2KDM1APLK1
SCHEMBL3888815 0.78 LIPC (0.63) LIPCLIPGCDK2KDM1APLK1
SCHEMBL15636170 0.78 LIPC (0.63) LIPCLIPGCDK2KDM1APLK1
SCHEMBL15109799 0.78 APEX1 (0.61) CDK2KDM4EALDH1A1HPGDHCAR3
SCHEMBL3888106 0.77 LIPC (0.61) LIPCLIPGCDK2KDM1APLK1
SCHEMBL29383902 0.77 LIPC (0.61) LIPCLIPGCDK2KDM1APLK1

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
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885CDK2 3425/4885
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LIPC 4629/4885LIPG 3997/4885CDK2 3058/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885CDK2 3425/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 LIPC 2767/4885LIPG 507/4885CDK2 3331/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LIPC 4591/4885LIPG 4019/4885CDK2 2991/4885

“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.