SCHEMBL15469591

SCHEMBL15469591

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)c3nccs3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.35
CNR1 P21554 10/20 0.35
MAP3K14 Q99558 1/20 0.32
HPGDS O60760 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

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
SCHEMBL12966903 0.87 SSTR4 (0.34) CNR2ALDH1A1F2GLAHPGD
SCHEMBL15469618 0.85 ALDH1A1 (0.30) ALDH1A1F2GLAHPGD
SCHEMBL15469578 0.85 MET (0.31) ALDH1A1F2GLAHPGD
SCHEMBL632771 0.85 HPGDS (0.36) HPGDSALDH1A1F2GLAHPGD
SCHEMBL15469594 0.85 PDGFRB (0.34) ALDH1A1F2GLAHPGD
SCHEMBL2865535 0.84 ALDH1A1 (0.35) HPGDSALDH1A1F2GLAHPGD
SCHEMBL3732272 0.84 MEN1 (0.36) HPGDSALDH1A1F2GLAHPGD
SCHEMBL15469592 0.83 ADORA2A (0.38) CNR2CNR1ALDH1A1F2GLA
SCHEMBL15469614 0.83 IMPDH2 (0.33) ALDH1A1F2GLAHPGD
SCHEMBL12822455 0.83 RIOK2 (0.31) ALDH1A1F2GLAHPGD

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 CNR2 2225/4885CNR1 952/4885MAP3K14 3926/4885

“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.