SCHEMBL2127309

SCHEMBL2127309

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(F)c[nH]c2=O)cc1C1(Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TDP2 O95551 1/20 0.33
PIP4K2A P48426 4/20 0.33
PIP4K2B P78356 4/20 0.33
ABL1 P00519 1/20 0.30
PIP4K2C Q8TBX8 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
SCHEMBL1543093 1.00 CYP3A4 (0.53) CYP3A4TDP2PIP4K2APIP4K2BABL1
SCHEMBL2127929 0.92 CYP3A4 (0.55) CYP3A4TDP2PIP4K2APIP4K2BPIP4K2C
SCHEMBL1542558 0.92 CYP3A4 (0.55) CYP3A4TDP2PIP4K2APIP4K2BPIP4K2C
SCHEMBL1542956 0.89 CYP3A4 (0.52) CYP3A4TDP2PIP4K2APIP4K2BABL1
SCHEMBL2128404 0.89 CYP3A4 (0.52) CYP3A4TDP2PIP4K2APIP4K2BABL1
SCHEMBL2128358 0.86 CYP3A4 (0.71) CYP3A4TDP2PIP4K2APIP4K2BPIP4K2C
SCHEMBL1542500 0.86 CYP3A4 (0.71) CYP3A4TDP2PIP4K2APIP4K2BPIP4K2C
SCHEMBL1542609 0.84 CYP3A4 (0.75) CYP3A4
SCHEMBL1542606 0.84 CYP3A4 (0.75) CYP3A4
SCHEMBL2128114 0.83 CYP3A4 (0.40) CYP3A4TDP2PIP4K2APIP4K2BPIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US claimed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885TDP2 3997/4885PIP4K2A 2030/4885

“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.