SCHEMBL4872012

SCHEMBL4872012

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4Cc4ccncc4)ccc3n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.35
CYP17A1 P05093 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
DHODH Q02127 1/20 0.32
STK17B O94768 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
KDM1A O60341 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
ALOX5AP P20292 1/20 0.31
SMPD3 Q9NY59 1/20 0.31

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
SCHEMBL4866901 0.92 GRIN1 (0.33) MDM2FFAR4ALOX5AP
SCHEMBL4875175 0.90 ERCC5 (0.38) ALOX5AP
SCHEMBL4879012 0.89 ALOX5AP (0.35) ALOX5AP
SCHEMBL4878276 0.89 MAOA (0.36) DHODHALOX5AP
SCHEMBL4873267 0.88 ALOX5AP (0.34) MDM2AKT1CDK2GSK3BALOX5AP
SCHEMBL4872023 0.86 CYP17A1 (0.36) CYP17A1DHODHSTK17BCDK2GSK3B
SCHEMBL4874576 0.84 MAPT (0.37) FFAR4KDM1ASMPD3
SCHEMBL4877200 0.84 KDM4E (0.33) DHODHALOX5AP
SCHEMBL4868085 0.84 F10 (0.33) DHODHALOX5AP
SCHEMBL4872478 0.84 KCNH2 (0.39) MDM2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 MDM2 2661/4885CYP17A1 3808/4885FFAR4 4106/4885

“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.