SCHEMBL1702295

SCHEMBL1702295

Cc1ccc(-c2cc(C(C)(C)C)cc3nc(-c4ccc(NS(C)(=O)=O)cc4Cl)c(C)nc23)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 4/20 0.39
BRD4 O60885 6/20 0.36
EPHX2 P34913 2/20 0.36
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP17A1 P05093 1/20 0.35
TDP2 O95551 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1702277 0.80 CRBN (0.41) HAVCR2BRD4EPHX2PPARGNR1H4
SCHEMBL1702792 0.76 CYP3A4 (0.45) BRD4HPGD
SCHEMBL1702649 0.75 MET (0.35) HAVCR2BRD4EPHX2PPARGNR1H4
SCHEMBL1702278 0.73 IKBKB (0.40) TDP2
SCHEMBL1703319 0.73 MET (0.40) HAVCR2BRD4EPHX2PPARGNR1H4
SCHEMBL1702695 0.71 ALDH1A1 (0.37) BRD4CYP17A1HPGD
SCHEMBL1702543 0.70 MET (0.41) BRD4CYP17A1
SCHEMBL1346280 0.67 CYP3A4 (0.48) BRD4EPHX2NR1H4TDP2
SCHEMBL1346276 0.67 CYP3A4 (0.48) BRD4EPHX2NR1H4TDP2
SCHEMBL3771679 0.67 KIT (0.40) HAVCR2EPHX2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP claimed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed

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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 HAVCR2 19/4885BRD4 383/4885EPHX2 2628/4885

“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.