SCHEMBL3596074

SCHEMBL3596074

NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3ccccc3)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA1 P00915 17/20 0.58
CA2 P00918 17/20 0.58
CA5A P35218 4/20 0.58
CA7 P43166 4/20 0.58
CA5B Q9Y2D0 4/20 0.58
CA12 O43570 5/20 0.56
CA4 P22748 3/20 0.56
MAOB P27338 2/20 0.56
CA9 Q16790 5/20 0.53

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
SCHEMBL3160315 0.92 CA1 (0.61) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3613294 0.87 CA1 (0.55) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3612871 0.87 CA1 (0.55) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3605049 0.87 CA1 (0.50) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3600308 0.85 CA1 (0.51) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3608507 0.83 CA1 (0.53) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3611704 0.82 CA1 (0.64) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL13119753 0.81 CA1 (0.48) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL3603208 0.79 CA1 (0.54) NPC1RAB9AL3MBTL1CA1CA2
SCHEMBL4720755 0.78 CA1 (0.58) CA1CA2CA5ACA7CA5B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO claimed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US claimed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E NPC1 2114/4885RAB9A 1911/4885L3MBTL1 1034/4885

“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.