SCHEMBL12712455

SCHEMBL12712455

Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.57
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ POLB P06746 6/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ SENP8 Q96LD8 2/20 0.56
▸ SENP7 Q9BQF6 2/20 0.56
▸ SENP6 Q9GZR1 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ GALK1 P51570 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PSMD14 O00487 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PPARG P37231 1/20 0.54
▸ PTPN1 P18031 5/20 0.53
▸ ACP1 P24666 4/20 0.53
▸ ATM Q13315 2/20 0.53
▸ MAPK1 P28482 2/20 0.51

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
SCHEMBL12712437 0.87 ENPP2 (0.64) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL12712450 0.87 ENPP2 (0.52) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL12712449 0.87 MEN1 (0.50) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL1614533 0.84 NLRP3 (0.55) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL15682752 0.83 MEN1 (0.78) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL26606767 0.83 MEN1 (0.64) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL12712452 0.82 PIM1 (0.50) MEN1KMT2AALDH1A1PPARG
SCHEMBL12712457 0.80 COMT (0.53) MEN1KMT2APOLBGAAUSP2
SCHEMBL3284901 0.80 ENPP2 (0.74) ENPP2MEN1KMT2APOLBCASP3
SCHEMBL3284905 0.80 ENPP2 (0.74) ENPP2MEN1KMT2APOLBCASP3

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-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 ENPP2 1288/4885MEN1 4141/4885KMT2A 1663/4885

“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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