Sugi Predict

Sugi Predict / Compounds / SCHEMBL4677276

SCHEMBL4677276

SCHEMBL4677276

O=C(Cc1cc(Oc2ccc(C(F)(F)F)cc2)co1)C(=O)c1nc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ LTA4H P09960 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL4676489 0.89 KDM4E (0.42) ALDH1A1MMP2MMP3MMP9MMP8
SCHEMBL4671058 0.86 MEN1 (0.34) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL4675671 0.86 DAO (0.36) P2RY14LTA4HEPHX2MMP1LMNA
SCHEMBL4676175 0.86 PARP10 (0.33) ALDH1A1CHEK2SMN1; SMN2
SCHEMBL4673357 0.86 KDM4E (0.36) ALDH1A1MMP13SMN1; SMN2LMNA
SCHEMBL4673900 0.84 RAB9A (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4671982 0.83 SRD5A2 (0.35) ALDH1A1P2RY14PPARDPPARAPPARG
SCHEMBL4671467 0.83 THRA (0.34) ALDH1A1LTA4H
SCHEMBL4671492 0.82 P2RY14 (0.36) ALDH1A1P2RY14LTA4HEPHX2PPARD
SCHEMBL4676014 0.82 APLNR (0.34) ALDH1A1P2RY14PPARDPPARAPPARG

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 ALDH1A1 980/4885P2RY14 3108/4885LTA4H 2809/4885

“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.