SCHEMBL15469586

SCHEMBL15469586

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)c3ccc(Cl)nc3)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
GRM4 Q14833 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
SCHEMBL15469588 0.87 ACACB (0.30) ACACB
SCHEMBL15469594 0.87 PDGFRB (0.34) ACACBALDH1A1F2GLAHPGD
SCHEMBL15469614 0.86 IMPDH2 (0.33) ALDH1A1F2GLAHPGD
SCHEMBL533268 0.86 MET (0.33) METALDH1A1F2GLAHPGD
SCHEMBL632771 0.85 HPGDS (0.36) METALDH1A1F2GLAHPGD
SCHEMBL2865535 0.84 ALDH1A1 (0.35) METALDH1A1F2GLAHPGD
SCHEMBL15469578 0.84 MET (0.31) METALDH1A1F2GLAHPGD
SCHEMBL632862 0.84 ALDH1A1 (0.33) METALDH1A1F2GLAHPGD
SCHEMBL3732272 0.84 MEN1 (0.36) METALDH1A1F2GLAHPGD
SCHEMBL15469632 0.83 ALDH1A1 (0.31) METALDH1A1F2GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US 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-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 ACACB 2332/4885MET 3339/4885ALDH1A1 248/4885

“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.