SCHEMBL1614943

SCHEMBL1614943

O=C1S/C(=C\c2cc(O)c(O)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.53
▸ SLC2A1 P11166 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ COMT P21964 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ DVL1 O14640 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ACP1 P24666 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
SCHEMBL12712452 0.91 PIM1 (0.50) PIM1SLC2A1ALDH1A1NLRP3COMT
SCHEMBL1614533 0.88 NLRP3 (0.55) PIM1SLC2A1NLRP3PPARGMEN1
SCHEMBL1614720 0.88 SLC2A1 (0.65) PIM1SLC2A1ALDH1A1NLRP3PPARG
SCHEMBL1613781 0.84 PIM1 (0.53) PIM1SLC2A1ALDH1A1NLRP3PPARG
SCHEMBL12712433 0.84 SLC2A1 (0.56) PIM1SLC2A1ALDH1A1NLRP3PPARG
SCHEMBL1614940 0.81 SLC2A1 (0.52) PIM1SLC2A1ALDH1A1NLRP3COMT
SCHEMBL1614304 0.80 SLC2A1 (0.52) PIM1SLC2A1ALDH1A1NLRP3COMT
SCHEMBL1615131 0.80 SLC2A1 (0.61) SLC2A1COMTPPARGAKR1B1CFTR
SCHEMBL2174422 0.78 SLC2A1 (0.60) PIM1SLC2A1ALDH1A1NLRP3PPARG
SCHEMBL12406528 0.78 SLC2A1 (0.60) PIM1SLC2A1ALDH1A1NLRP3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 — — EP claimed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO claimed
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 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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