SCHEMBL1614940

SCHEMBL1614940

CC(C)(C)c1ccc(CN2C(=O)S/C(=C\c3cc(O)c(O)c(C(F)(F)F)c3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.52
▸ ENPP2 Q13822 4/20 0.52
▸ PIM1 P11309 1/20 0.50
▸ MCL1 Q07820 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ PTPN1 P18031 4/20 0.46
▸ ACP1 P24666 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ COMT P21964 1/20 0.45
▸ 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
SCHEMBL1615013 0.89 SLC2A1 (0.66) SLC2A1ENPP2PIM1MEN1ALDH1A1
SCHEMBL1614533 0.88 NLRP3 (0.55) SLC2A1ENPP2PIM1MEN1KMT2A
SCHEMBL1614304 0.87 SLC2A1 (0.52) SLC2A1ENPP2PIM1MCL1MEN1
SCHEMBL12712450 0.87 ENPP2 (0.52) ENPP2PIM1MCL1MEN1ALDH1A1
SCHEMBL1614943 0.81 PIM1 (0.53) SLC2A1PIM1MEN1ALDH1A1KMT2A
SCHEMBL12712431 0.80 ENPP2 (0.57) SLC2A1ENPP2PIM1MCL1MEN1
SCHEMBL1615131 0.79 SLC2A1 (0.61) SLC2A1COMTPPARG
SCHEMBL1614334 0.79 ENPP2 (0.54) ENPP2PIM1MCL1MEN1ALDH1A1
SCHEMBL1614974 0.78 SLC2A1 (0.77) SLC2A1MEN1ALDH1A1MAPTKMT2A
SCHEMBL13754218 0.77 SLC2A1 (0.64) SLC2A1ENPP2PIM1MEN1ALDH1A1

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 SLC2A1 76/4885ENPP2 1288/4885PIM1 2193/4885

“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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