SCHEMBL1614533

SCHEMBL1614533

O=C1S/C(=C\c2cc(O)c(O)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.55
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 3/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ GALK1 P51570 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ ENPP2 Q13822 6/20 0.52
▸ PPARG P37231 1/20 0.52
▸ SLC2A1 P11166 2/20 0.52
▸ PTPN1 P18031 4/20 0.51
▸ ACP1 P24666 4/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ PTPN2 P17706 1/20 0.50

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
SCHEMBL1614943 0.88 PIM1 (0.53) NLRP3MEN1KMT2APOLBPPARG
SCHEMBL1614982 0.88 SLC2A1 (0.66) NLRP3MEN1KMT2APOLBHSP90AA1
SCHEMBL2171659 0.88 SLC2A1 (0.66) NLRP3MEN1KMT2APOLBHSP90AA1
SCHEMBL2171655 0.88 SLC2A1 (0.66) NLRP3MEN1KMT2APOLBHSP90AA1
SCHEMBL1614940 0.88 SLC2A1 (0.52) NLRP3MEN1KMT2AENPP2PPARG
SCHEMBL1614304 0.87 SLC2A1 (0.52) NLRP3MEN1KMT2APOLBUSP2
SCHEMBL12712455 0.84 ENPP2 (0.57) MEN1KMT2APOLBHSP90AA1GAA
SCHEMBL26606767 0.82 MEN1 (0.64) MEN1KMT2APOLBHSP90AA1GAA
SCHEMBL15682752 0.81 MEN1 (0.78) MEN1KMT2APOLBHSP90AA1GAA
SCHEMBL1615131 0.81 SLC2A1 (0.61) PPARGSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — US claimed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 — — EP disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — 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 NLRP3 600/4885MEN1 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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