SCHEMBL4497893

SCHEMBL4497893

Cc1cc(C(C)C(O)C(=O)O)cc2oc(=O)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
GRM5 P41594 5/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
EPHX2 P34913 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL14280505 0.81 NOS1 (0.39) SYKGRM5NOS1NOS3NOS2
SCHEMBL3353809 0.74 KDM6B (0.37) SYKGRM5NOS1NOS3NOS2
SCHEMBL1286048 0.73 TTR (0.41) SYKGRM5NOS1NOS3NOS2
SCHEMBL4501885 0.73 ACACB (0.42) KDM4EALDH1A1HPGD
SCHEMBL1285358 0.71 KDR (0.45) SYKGRM5NOS1NOS3NOS2
SCHEMBL2163983 0.71 HTR2B (0.39) KDM4EALDH1A1
SCHEMBL2165249 0.71 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL11132639 0.70 NOS1 (0.52) SYKGRM5NOS1NOS3NOS2
SCHEMBL1285709 0.70 CREBBP (0.41) SYKGRM5NOS1NOS3NOS2
SCHEMBL1286119 0.70 THRA (0.36) SYKGRM5NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SYK 4219/4885GRM5 697/4885NOS1 1430/4885

“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.