SCHEMBL4603536

SCHEMBL4603536

Cc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(Oc2ccc(C#N)cc2C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.49
CA2 P00918 12/20 0.49
CA12 O43570 9/20 0.49
CA9 Q16790 9/20 0.49
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CTSD P07339 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL4604218 0.95 CA1 (0.56) CA1CA2CA12CA9CA5A
SCHEMBL4604757 0.94 CA1 (0.48) CA1CA2CA12CA9CA5A
SCHEMBL4603342 0.90 CA1 (0.48) CA1CA2CA12CA9CA5A
SCHEMBL4605031 0.90 CTSD (0.54) CA1CA2CA12CA9CTSD
SCHEMBL4602141 0.89 CA1 (0.51) CA1CA2CA12CA9CA5A
SCHEMBL4604206 0.88 CA1 (0.55) CA1CA2CA12CA9CA5A
SCHEMBL4603727 0.87 CA1 (0.49) CA1CA2CA12CA9CA5A
SCHEMBL4603630 0.87 CA1 (0.58) CA1CA2CA12CA9CA5A
SCHEMBL2639500 0.86 CTSD (0.51) CA1CA2CA12CA9CA5A
SCHEMBL4604831 0.86 CA1 (0.58) CA1CA2CA12CA9CA5A

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
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 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.