SCHEMBL4604658

SCHEMBL4604658

Cc1c(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Br)ccc(Oc2cc(Cl)cc(C#N)c2)c1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.49
CA1 P00915 19/20 0.49
CA9 Q16790 12/20 0.49
CA12 O43570 11/20 0.49
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44

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
SCHEMBL4603706 0.93 P2RX4 (0.41) CA2CA1CA9CA12CA5A
SCHEMBL4602427 0.93 CA1 (0.49) CA2CA1CA9CA12CA5A
SCHEMBL4604854 0.88 P2RX4 (0.47) CA2CA1CA9CA12
SCHEMBL4604104 0.86 CA2 (0.59) CA2CA1CA9CA12CA5A
SCHEMBL4603255 0.85 CA1 (0.51) CA2CA1CA9CA12CA5A
SCHEMBL4604199 0.85 CA2 (0.58) CA2CA1CA9CA12CA5A
SCHEMBL4603722 0.82 CA1 (0.49) CA2CA1CA9CA12CA5A
SCHEMBL2639076 0.82 CYP3A4 (0.42) CA2CA1CA9CA12CA5A
SCHEMBL4602585 0.80 CA1 (0.58) CA2CA1CA9CA12CA5A
SCHEMBL2639016 0.80 CA12 (0.42) CA2CA1CA9CA12

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 claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
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
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 CA2 4750/4885CA1 4746/4885CA9 4603/4885

“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.