SCHEMBL2735762

SCHEMBL2735762

Cc1ccc(CC(C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NC(Cc2ccccc2)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APC P25054 3/20 0.52
▸ CCKBR P32239 3/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ FCER2 P06734 1/20 0.47
▸ KEAP1 Q14145 4/20 0.46
▸ QRFPR Q96P65 2/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL14478149 0.82 APC (0.54) APCMMP1KEAP1QRFPRPTPN1
SCHEMBL14478103 0.80 APC (0.60) APCCCKBROPRD1OPRM1OPRK1
SCHEMBL3634638 0.79 OPRD1 (0.51) APCMMP1FCER2OPRD1OPRM1
SCHEMBL29357401 0.79 APC (0.58) APCCCKBRKEAP1QRFPROPRD1
SCHEMBL30880911 0.77 NAALAD2 (0.57) OPRD1OPRM1OPRK1
SCHEMBL29311919 0.77 KEAP1 (0.56) APCCCKBRKEAP1OPRD1
SCHEMBL31672246 0.76 LTA4H (0.55) MMP1FCER2PTPN1
SCHEMBL31031528 0.75 NAALAD2 (0.55) OPRD1OPRM1OPRK1
SCHEMBL26464937 0.75 KEAP1 (0.53) CCKBRKEAP1OPRD1OPRM1PTPN1
SCHEMBL26464896 0.75 KEAP1 (0.53) CCKBRKEAP1OPRD1OPRM1PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — 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 (2 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 APC 540/4885CCKBR 3399/4885MMP1 1043/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 APC 780/4885CCKBR 2205/4885MMP1 4631/4885

“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.

Send feedback