SCHEMBL22800153

SCHEMBL22800153

C=CCOCCn1ccc2cccc(C(=O)N[C@@H](CC=C)C(=O)N(C)OC)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.34
▸ PTGDR Q13258 4/20 0.34
▸ CAPN1 P07384 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL22800074 0.79 ICMT (0.35) CAPN1KMT2A
SCHEMBL22799633 0.79 LIG1 (0.44) USP2RAB9AKMT2A
SCHEMBL22800161 0.78 CYP3A4 (0.38) USP2MAPK1NPC1RAB9A
SCHEMBL22800306 0.75 CTSS (0.39) PTGER4PTGDRCAPN1USP2MAPK1
SCHEMBL22800155 0.75 MAPT (0.38) PTGER4PTGDRKMT2A
SCHEMBL22800150 0.72 KDM4E (0.42) KMT2A
SCHEMBL22800170 0.71 KDM4E (0.43) KMT2A
SCHEMBL22800154 0.71 ALDH1A1 (0.46) KMT2A
SCHEMBL22799765 0.70 MAPT (0.35) —
SCHEMBL20028240 0.70 DCAF1 (0.46) —

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 PTGER4 3085/4885PTGDR 2439/4885CAPN1 3/4885

“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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