SCHEMBL4603706

SCHEMBL4603706

Cc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(Oc2cc(Cl)cc(C#N)c2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.41
CA1 P00915 12/20 0.41
CA2 P00918 12/20 0.41
CA12 O43570 9/20 0.41
CA9 Q16790 9/20 0.41
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPAS1 Q99814 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
SLC2A1 P11166 1/20 0.37
VEGFA P15692 1/20 0.37

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
SCHEMBL4602427 0.93 CA1 (0.49) CA1CA2CA12CA9CA5A
SCHEMBL4604658 0.93 CA2 (0.49) CA1CA2CA12CA9CA5A
SCHEMBL4604854 0.89 P2RX4 (0.47) P2RX4CA1CA2CA12CA9
SCHEMBL2639016 0.87 CA12 (0.42) P2RX4CA1CA2CA12CA9
SCHEMBL2638904 0.87 CA1 (0.46) P2RX4CA1CA2CA12CA9
SCHEMBL2638415 0.87 CYP3A4 (0.49) CA1CA2CA12CA9CA5A
SCHEMBL2638930 0.87 CA1 (0.45) P2RX4CA1CA2CA12CA9
SCHEMBL4603727 0.87 CA1 (0.49) P2RX4CA1CA2CA12CA9
SCHEMBL2639007 0.86 CYP3A4 (0.44) CA1CA2CA12CA9CA5A
SCHEMBL4603722 0.86 CA1 (0.49) P2RX4CA1CA2CA12CA9

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 P2RX4 1780/4885CA1 4746/4885CA2 4750/4885

“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.