SCHEMBL9611253

SCHEMBL9611253

CCCO[C@@H](CCOS(C)(=O)=O)COC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL18720002 0.79 TSHR (0.45) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL16826977 0.79 USP2 (0.46) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL27251834 0.76 KDM4E (0.38) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL17117078 0.73 TSHR (0.35) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL23171105 0.73 LPAR1 (0.42) USP2ALDH1A1
SCHEMBL7135483 0.72 TSHR (0.45) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7135487 0.72 TSHR (0.45) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL10798698 0.72 ALDH1A1 (0.43) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL502063 0.71
SCHEMBL21023385 0.70 USP2 (0.38) USP2TSHRKDM4EALDH1A1LMNA

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-20120136037-A1 DEUTERIUM-ENRICHED RUBOXISTAURIN PROTIA, LLC (US) 2012-05-31 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-20120136037-A1 DEUTERIUM-ENRICHED RUBOXISTAURIN RDX, HRH3, QDPR USP2 641/4885TSHR 3323/4885KDM4E 1662/4885

“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.