SCHEMBL3885485

SCHEMBL3885485

C=C(C)CNc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.60
LIPG Q9Y5X9 1/20 0.60
PLK1 P53350 1/20 0.50
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
CDK2 P24941 3/20 0.48
KDM1A O60341 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.44
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43
MPO P05164 3/20 0.43
SORT1 Q99523 2/20 0.42
MEN1 O00255 1/20 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
SCHEMBL3894930 0.82 LIPC (0.66) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3888815 0.80 LIPC (0.63) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL25243656 0.80 CYP1A2 (0.41) LIPCLIPGPLK1ALDH1A1CYP2C19
SCHEMBL15635834 0.80 LIPC (0.66) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3889836 0.79 LIPC (0.61) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3888585 0.79 LIPC (0.61) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3885198 0.78 KDM4E (0.59) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3888029 0.78 LIPC (0.60) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL3886144 0.77 LIPC (0.58) LIPCLIPGPLK1AKR1C3AKR1C2
SCHEMBL15636031 0.77 LIPC (0.63) LIPCLIPGPLK1AKR1C3AKR1C2

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 8 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-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-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-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP 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

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

For each of this compound's patents that has machine-readable text (3 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 561/4885PLK1 4448/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 LIPC 2777/4885LIPG 561/4885PLK1 4448/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 LIPC 2767/4885LIPG 507/4885PLK1 4437/4885

“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.