SCHEMBL2994470

SCHEMBL2994470

CC(C)Nc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.55
LIPG Q9Y5X9 1/20 0.55
KDM1A O60341 2/20 0.52
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PLK1 P53350 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.48
MAPT P10636 1/20 0.47
MPO P05164 3/20 0.47
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
SORT1 Q99523 1/20 0.46
GRIK1 P39086 1/20 0.44
CDK2 P24941 1/20 0.44
CES2 O00748 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2080677 0.82 CCR2 (0.50) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL3888117 0.82 CCR2 (0.50) LIPCLIPGALDH1A1PLK1MAPT
SCHEMBL3886144 0.82 LIPC (0.58) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL3888585 0.81 LIPC (0.61) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL17627407 0.80 LIPC (0.60) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL1010711 0.80 PLK1 (0.50) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL3888584 0.79 LIPC (0.56) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL3885198 0.79 KDM4E (0.59) LIPCLIPGKDM1AAKR1C3AKR1C2
SCHEMBL15635805 0.79 KEAP1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2998300 0.79 PLK1 (0.49) LIPCLIPGKDM1AAKR1C3AKR1C2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
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
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 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
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 WO 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 (7 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 561/4885KDM1A 4037/4885
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LIPC 4629/4885LIPG 3997/4885KDM1A 3293/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885KDM1A 4037/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 LIPC 2767/4885LIPG 507/4885KDM1A 4373/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 LIPC 1916/4885LIPG 597/4885KDM1A 4507/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LIPC 4591/4885LIPG 4019/4885KDM1A 2763/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 LIPC 2030/4885LIPG 586/4885KDM1A 4330/4885

“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.