SCHEMBL2745328

SCHEMBL2745328

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ncc[nH]c2=O)cc1C1(C(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ PIP4K2A P48426 7/20 0.35
▸ PIP4K2B P78356 6/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.32
▸ TEAD2 Q15562 1/20 0.31
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 1/20 0.30
▸ TDP2 O95551 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
SCHEMBL2745325 1.00 CYP3A4 (0.49) CYP3A4PIP4K2APIP4K2BPIP4K2CTEAD2
SCHEMBL2128628 0.85 CYP3A4 (0.68) CYP3A4PIP4K2APIP4K2BPIP4K2CIKBKB
SCHEMBL1542176 0.85 CYP3A4 (0.68) CYP3A4PIP4K2APIP4K2BPIP4K2CIKBKB
SCHEMBL2520553 0.82 CYP3A4 (0.51) CYP3A4PIP4K2APIP4K2BPIP4K2CTDP2
SCHEMBL2520555 0.82 CYP3A4 (0.51) CYP3A4PIP4K2APIP4K2BPIP4K2CTDP2
SCHEMBL2491321 0.82 CYP3A4 (0.72) CYP3A4PIP4K2APIP4K2BIKBKBCHUK
SCHEMBL2491324 0.82 CYP3A4 (0.72) CYP3A4PIP4K2APIP4K2BIKBKBCHUK
SCHEMBL1542956 0.82 CYP3A4 (0.52) CYP3A4PIP4K2APIP4K2BPIP4K2CTDP2
SCHEMBL2128404 0.82 CYP3A4 (0.52) CYP3A4PIP4K2APIP4K2BPIP4K2CTDP2
SCHEMBL1764738 0.80 CYP3A4 (0.64) CYP3A4IKBKBCHUK

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
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 — — US claimed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 — — US disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 — — WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 — — 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP3A4 978/4885PIP4K2A 3173/4885PIP4K2B 3035/4885

“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.

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