SCHEMBL4677299

SCHEMBL4677299

CCCCC(CCCCc1ccc(F)cc1)c1cc[nH]c1CC(=O)C(=O)c1nc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
CYP19A1 P11511 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PLA2G4A P47712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 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
SCHEMBL5899389 0.92 PTGES (0.34) CYP19A1KMT2APTGESALOX5PPARG
SCHEMBL4672113 0.91 S1PR1 (0.31) PLA2G4AALDH1A1
SCHEMBL4672994 0.91 PPARG (0.36) KMT2APTGESALOX5PPARG
SCHEMBL4674511 0.90 THRA (0.33) PLA2G4A
SCHEMBL4680140 0.90 ALOX5 (0.35) ALOX5PLA2G4A
SCHEMBL4678125 0.86 CYSLTR2 (0.36)
SCHEMBL4674261 0.82 FNTA (0.32) FNTAPGGT1BCYP19A1
SCHEMBL4675757 0.80 MMP13 (0.31)
SCHEMBL4673020 0.79 KMT2A (0.31) KMT2AALDH1A1
SCHEMBL4676356 0.78 PLA2G4A (0.36) ALOX5PLA2G4A

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 FNTA 3062/4885PGGT1B 1972/4885CYP19A1 96/4885

“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.