SCHEMBL15469588

SCHEMBL15469588

C#Cc1cnc2c(C)cc(OC(SC)C(=O)NC(C)(C)c3ccc(Cl)nc3)cc2c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.30
PARP1 P09874 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
SCHEMBL15469586 0.87 ACACB (0.32) ACACB
SCHEMBL12966785 0.87 ACACB (0.32) ACACBPARP1
SCHEMBL15469612 0.87 PARP1 (0.32) PARP1
SCHEMBL633818 0.85 PARP1 (0.33) PARP1
SCHEMBL634122 0.84 PARP1 (0.31) PARP1
SCHEMBL3732925 0.83 PARP1 (0.32) PARP1
SCHEMBL15469575 0.83 PARP1 (0.35) PARP1
SCHEMBL15469629 0.83
SCHEMBL15469566 0.83 ADORA2A (0.33) PARP1
SCHEMBL15469577 0.83 PARP1 (0.31) PARP1

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 2332/4885PARP1 4670/4885

“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.