SCHEMBL3887002

SCHEMBL3887002

O=C(O)c1cc(I)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.64
PTPN2 P17706 1/20 0.64
PTPN1 P18031 1/20 0.64
PTPRA P18433 1/20 0.64
PTPRB P23467 1/20 0.64
PTPRE P23469 1/20 0.64
PTPN6 P29350 1/20 0.64
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
MAP2K1 Q02750 4/20 0.43
MAP2K2 P36507 1/20 0.43
KCNK2 O95069 5/20 0.43
KCNK10 P57789 3/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LTC4S Q16873 1/20 0.40

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
SCHEMBL4177446 0.84 PTPRC (0.64) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL8373810 0.84 PDK1 (0.56) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL1893876 0.82 KCNK2 (0.57) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL16198286 0.81 KDM4E (0.64) CA12CA7KCNK2KCNK10KDM4E
SCHEMBL2403082 0.81 MEN1 (0.57) CA12CA7MEN1KMT2AALDH1A1
SCHEMBL2987828 0.81 LIPC (0.59) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL9384576 0.79 PDK1 (0.50) MAP2K1MEN1KMT2A
SCHEMBL1310816 0.79 ABCC9 (0.44) IDO1KDM4EMEN1KMT2AMAPT
SCHEMBL1573269 0.78 KCNK2 (0.46) KCNK2KCNK10IGF2BP2KDM4EHSD17B10
SCHEMBL7989039 0.78 PTPN1 (1.00) PTPRCPTPN2PTPN1PTPRAPTPRB

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 9 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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 (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-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PTPRC 2102/4885PTPN2 3285/4885PTPN1 2285/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 PTPRC 2102/4885PTPN2 3285/4885PTPN1 2285/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PTPRC 1733/4885PTPN2 3066/4885PTPN1 2278/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 PTPRC 1698/4885PTPN2 1612/4885PTPN1 1632/4885

“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.