SCHEMBL12378324

SCHEMBL12378324

CCN(c1c2c(c(OCc3ccc(OC)cc3)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(CCOC)C2)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PDE1B Q01064 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12378323 0.94 KEAP1 (0.33) KEAP1NFE2L2KDM4E
SCHEMBL13592618 0.93 KEAP1 (0.34) KEAP1NFE2L2KDM4E
SCHEMBL12378300 0.92 CYP19A1 (0.33) KEAP1NFE2L2PDE1B
SCHEMBL13592617 0.91 KEAP1 (0.34) KEAP1NFE2L2KDM4E
SCHEMBL12378322 0.86 HPGD (0.32)
SCHEMBL12378273 0.86 PDE1B (0.35) PDE1BKDM4E
SCHEMBL12378327 0.86 CYP19A1 (0.34) KEAP1NFE2L2KDM4E
SCHEMBL12378328 0.86 CYP19A1 (0.32) KEAP1NFE2L2
SCHEMBL12378305 0.85 CYP19A1 (0.34) KEAP1NFE2L2PDE1B
SCHEMBL12378542 0.85 CYP19A1 (0.33) KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO 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 (2 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS KEAP1 4299/4885NFE2L2 4456/4885PDE1B 3694/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KEAP1 4110/4885NFE2L2 3762/4885PDE1B 3782/4885

“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.