SCHEMBL4604934

SCHEMBL4604934

Cc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(Oc2cc(C#N)cc(C(F)F)c2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
CA12 O43570 10/20 0.45
CA9 Q16790 10/20 0.45
EPAS1 Q99814 4/20 0.43
VEGFA P15692 1/20 0.43
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CTSD P07339 3/20 0.39

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
SCHEMBL2639339 0.92 CTSD (0.47) CA1CA2CA12CA9CTSD
SCHEMBL4602640 0.91 CA1 (0.51) CA1CA2CA12CA9EPAS1
SCHEMBL2638984 0.90 CA1 (0.42) CA1CA2CA12CA9EPAS1
SCHEMBL4603722 0.88 CA1 (0.49) CA1CA2CA12CA9EPAS1
SCHEMBL4603342 0.83 CA1 (0.48) CA1CA2CA12CA9CA5A
SCHEMBL2638562 0.83 CTSD (0.48) CA1CA2CA12CA9CA5A
SCHEMBL2639756 0.83 CA1 (0.56) CA1CA2CA12CA9EPAS1
SCHEMBL2638815 0.83 CA1 (0.41) CA1CA2CA12CA9EPAS1
SCHEMBL2638578 0.83 CA1 (0.41) CA1CA2CA12CA9EPAS1
SCHEMBL2638576 0.82 CA1 (0.40) CA1CA2CA12CA9EPAS1

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
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 CA1 4746/4885CA2 4750/4885CA12 4866/4885

“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.