SCHEMBL12712452

SCHEMBL12712452

Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)cc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.50
▸ SLC2A1 P11166 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ COMT P21964 1/20 0.45
▸ PPARG P37231 2/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ BAG3 O95817 1/20 0.42
▸ DVL1 O14640 1/20 0.42
▸ ESRRA P11474 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ CFTR P13569 1/20 0.41

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 0.91 PIM1 (0.53) PIM1SLC2A1ALDH1A1COMTPPARG
SCHEMBL12712433 0.89 SLC2A1 (0.56) PIM1SLC2A1ALDH1A1PPARGNLRP3
SCHEMBL1614720 0.84 SLC2A1 (0.65) PIM1SLC2A1ALDH1A1PPARGNLRP3
SCHEMBL12712455 0.82 ENPP2 (0.57) ALDH1A1PPARGMEN1KMT2A
SCHEMBL1613781 0.81 PIM1 (0.53) PIM1SLC2A1ALDH1A1PPARGNLRP3
SCHEMBL1614533 0.80 NLRP3 (0.55) PIM1SLC2A1PPARGNLRP3MEN1
SCHEMBL12712450 0.77 ENPP2 (0.52) PIM1ALDH1A1COMTPPARGBAG3
SCHEMBL12712449 0.75 MEN1 (0.50) ALDH1A1COMTPPARGS1PR1BAG3
SCHEMBL1614940 0.74 SLC2A1 (0.52) PIM1SLC2A1ALDH1A1COMTPPARG
SCHEMBL12712457 0.74 COMT (0.53) SLC2A1ALDH1A1COMTPPARGBAG3

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 PIM1 2193/4885SLC2A1 76/4885ALDH1A1 839/4885

“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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