SCHEMBL12641900

SCHEMBL12641900

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
CPA1 P15085 2/20 0.53
CPA2 P48052 1/20 0.53
CPA4 Q9UI42 1/20 0.53
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
FOLH1 Q04609 1/20 0.50
MME P08473 2/20 0.49
ACE P12821 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
GNPAT O15228 1/20 0.47
CTSL P07711 1/20 0.47
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.47
OPRD1 P41143 2/20 0.46
OPRM1 P35372 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
SCHEMBL2735966 0.88 ACE (0.52) CPA1MMP9MMP8CTSSCTSK
SCHEMBL24558027 0.87 GRIA1 (0.53) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL9292479 0.87 CPA1 (0.55) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL9334753 0.87 CPA1 (0.55) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL8903262 0.86 ACE (0.61) GRIA1CPA1CPA2CPA4FOLH1
SCHEMBL30493638 0.86 GRIA1 (0.55) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL30493613 0.86 GRIA1 (0.55) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL24724924 0.86 GRIA1 (0.57) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL12632559 0.86 GRIA1 (0.57) GRIA1CPA1CPA2CPA4MMP9
SCHEMBL25139820 0.86 GRIA1 (0.57) GRIA1CPA1CPA2CPA4MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 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 (1 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-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 GRIA1 1993/4885CPA1 4356/4885CPA2 4119/4885

“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.