SCHEMBL3897253

SCHEMBL3897253

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
LIPC P11150 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
LMNA P02545 2/20 0.49
CCR2 P41597 3/20 0.48
CCR5 P51681 3/20 0.48
GRIK1 P39086 5/20 0.46
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
SORT1 Q99523 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
RAF1 P04049 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL686710 0.85 PLK1 (0.56) PLK1LIPCLIPGCCR2GRIK1
SCHEMBL3888585 0.84 LIPC (0.61) PLK1LIPCLIPGKDM1AMEN1
SCHEMBL2080677 0.83 CCR2 (0.50) PLK1LIPCLIPGCCR2CCR5
SCHEMBL5127442 0.81 LIPC (0.53) PLK1LIPCLIPGGRIK1KDM1A
SCHEMBL1010711 0.80 PLK1 (0.50) PLK1LIPCLIPGGRIK1KDM1A
SCHEMBL3885198 0.78 KDM4E (0.59) PLK1LIPCLIPGGRIK1KDM1A
SCHEMBL2994470 0.76 LIPC (0.55) PLK1LIPCLIPGGRIK1KDM1A
SCHEMBL2998300 0.76 PLK1 (0.49) PLK1LIPCLIPGGRIK1KDM1A
SCHEMBL19057852 0.75 MEN1 (0.45) LMNACCR2CCR5MEN1KMT2A
SCHEMBL2987828 0.75 LIPC (0.59) PLK1LIPCLIPGLMNAGRIK1

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 6 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
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 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 (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 PLK1 4448/4885LIPC 2777/4885LIPG 561/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PLK1 4448/4885LIPC 2777/4885LIPG 561/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PLK1 4437/4885LIPC 2767/4885LIPG 507/4885

“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.