SCHEMBL1764637

SCHEMBL1764637

[2H]C([2H])([2H])C(c1cc(-c2cc(Cl)c[nH]c2=O)cc(/C=C/c2ccc(NS(C)(=O)=O)cn2)c1OC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
CRBN Q96SW2 1/20 0.32
MET P08581 3/20 0.32
BRD4 O60885 3/20 0.32
FYN P06241 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVR1 Q04771 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
SCHEMBL1764335 0.94 CYP3A4 (0.60) CYP3A4CRBNMETBRD4FYN
SCHEMBL1764337 0.94 CYP3A4 (0.60) CYP3A4CRBNMETBRD4FYN
SCHEMBL1764949 0.89 CYP3A4 (0.68) CYP3A4CRBNBRD4
SCHEMBL2128476 0.85 CYP3A4 (0.59) CYP3A4CRBNMETBRD4FYN
SCHEMBL1542929 0.85 CYP3A4 (0.59) CYP3A4CRBNMETBRD4FYN
SCHEMBL1542579 0.85 CYP3A4 (0.61) CYP3A4CRBN
SCHEMBL1542848 0.82 CYP3A4 (0.76) CYP3A4CRBNBRD4
SCHEMBL2130293 0.82 CYP3A4 (0.76) CYP3A4CRBNBRD4
SCHEMBL2745167 0.82 CYP3A4 (0.58) CYP3A4CRBNMETBRD4FYN
SCHEMBL2745165 0.82 CYP3A4 (0.58) CYP3A4CRBNMETBRD4FYN

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-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US claimed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 CYP3A4 60/4885CRBN 3075/4885MET 2091/4885

“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.