SCHEMBL12712450

SCHEMBL12712450

Cc1cc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.52
▸ PTPN1 P18031 4/20 0.48
▸ ACP1 P24666 4/20 0.48
▸ MCL1 Q07820 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DNMT1 P26358 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ COMT P21964 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ BAG3 O95817 1/20 0.44
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL12712431 0.88 ENPP2 (0.57) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL12712455 0.87 ENPP2 (0.57) ENPP2PTPN1ACP1MEN1KMT2A
SCHEMBL1614940 0.87 SLC2A1 (0.52) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL12712449 0.85 MEN1 (0.50) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL1614334 0.81 ENPP2 (0.54) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL1615013 0.80 SLC2A1 (0.66) ENPP2PTPN1ACP1MEN1KMT2A
SCHEMBL5460169 0.77 PTPN1 (0.53) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL5460170 0.77 PTPN1 (0.53) ENPP2PTPN1ACP1MCL1MEN1
SCHEMBL12712452 0.77 PIM1 (0.50) MEN1KMT2AALDH1A1COMTPPARG
SCHEMBL12712457 0.77 COMT (0.53) MEN1KMT2AALDH1A1MAPTKDM4E

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 1288/4885PTPN1 863/4885ACP1 1572/4885

“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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