SCHEMBL12378321

SCHEMBL12378321

CCN(c1c2c(c(OCc3ccc(OC)cc3)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
SLC2A1 P11166 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
GRM2 Q14416 1/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30
CYP19A1 P11511 1/20 0.30
RIPK3 Q9Y572 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL12378267 0.91 CYP19A1 (0.36) KEAP1NFE2L2JAK2TYK2SLC2A1
SCHEMBL12378559 0.87 JAK2 (0.33) KEAP1NFE2L2JAK2TYK2SLC2A1
SCHEMBL13592617 0.86 KEAP1 (0.34) KEAP1NFE2L2MMP2MMP9
SCHEMBL13592618 0.85 KEAP1 (0.34) KEAP1NFE2L2MMP2MMP9
SCHEMBL12378261 0.85 TYK2 (0.36) JAK2TYK2SLC2A1GRM2MAOB
SCHEMBL12378323 0.84 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL12415956 0.83 PARP1 (0.30)
SCHEMBL12378324 0.83 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL12378377 0.81 SLC2A1 (0.37) KEAP1NFE2L2JAK2TYK2SLC2A1
SCHEMBL12378589 0.79 CYP19A1 (0.33) CYP19A1

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 4456/4885JAK2 3475/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KEAP1 4110/4885NFE2L2 3762/4885JAK2 3263/4885

“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.