SCHEMBL4676014

SCHEMBL4676014

O=C(Cc1cc(Sc2ccc(C(F)(F)F)cc2)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.34
PPARD Q03181 9/20 0.33
PPARA Q07869 5/20 0.33
P2RY14 Q15391 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 2/20 0.30

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
SCHEMBL4672045 0.89 SIRT2 (0.37) ALDH1A1
SCHEMBL4674013 0.86 CYP2C9 (0.30)
SCHEMBL4677279 0.86 DAO (0.33) APLNRHAO1ALDH1A1
SCHEMBL4676083 0.86 MAPT (0.32) ALDH1A1
SCHEMBL4670929 0.84 HPGD (0.40) ALDH1A1
SCHEMBL4671143 0.84 ALDH1A1 (0.33) APLNRPPARDHAO1ALDH1A1
SCHEMBL4673379 0.84 HAO1 (0.34) PPARDPPARAP2RY14HAO1ALDH1A1
SCHEMBL4675333 0.84 NOTUM (0.30)
SCHEMBL4678389 0.83 PPARD (0.32) PPARDPPARAP2RY14HAO1ALDH1A1
SCHEMBL4671982 0.82 SRD5A2 (0.35) APLNRPPARDPPARAP2RY14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 APLNR 4619/4885PPARD 3054/4885PPARA 2490/4885

“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.