SCHEMBL3894309

SCHEMBL3894309

CCOC(=O)Nc1ccc(I)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.59
▸ PTPN2 P17706 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ PTPRA P18433 1/20 0.59
▸ PTPRB P23467 1/20 0.59
▸ PTPRE P23469 1/20 0.59
▸ PTPN6 P29350 1/20 0.59
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ PLK1 P53350 4/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL10489832 0.86 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL3887267 0.84 PTPRC (0.66) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL10489891 0.82 KDM4E (0.63) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL10489791 0.82 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL5962893 0.82 PTPRC (0.55) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL10489898 0.80 METAP2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL22017528 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL10489912 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL3888954 0.79 PTPRC (0.59) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL30517876 0.79 PTPRC (0.59) 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 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 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

“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.

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