SCHEMBL5558384

SCHEMBL5558384

O=C(O)c1coc(C=Cc2ccc3c(c2)OC(F)(F)O3)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 18/20 0.43
KCNH2 Q12809 3/20 0.43
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL5558380 1.00 GPR183 (0.43) GPR183KCNH2PIK3CAPIK3CGNPC1
SCHEMBL5566352 0.83 GPR183 (0.41) GPR183KCNH2MAOB
SCHEMBL5566350 0.83 GPR183 (0.41) GPR183KCNH2MAOB
SCHEMBL5046873 0.77 ERBB2 (0.38) GPR183KCNH2PIK3CAPIK3CGNPC1
SCHEMBL5046869 0.77 ERBB2 (0.38) GPR183KCNH2PIK3CAPIK3CGNPC1
SCHEMBL2227080 0.74 ELANE (0.43) NPC1RAB9A
SCHEMBL2227083 0.74 ELANE (0.43) NPC1RAB9A
SCHEMBL1536358 0.73 GPR183 (0.59) GPR183KCNH2PIK3CAPIK3CG
SCHEMBL1536357 0.73 GPR183 (0.59) GPR183KCNH2PIK3CAPIK3CG
SCHEMBL5558910 0.73 ERBB2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP claimed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 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 (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-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 GPR183 187/4885KCNH2 4334/4885PIK3CA 547/4885

“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.