SCHEMBL2639280

SCHEMBL2639280

CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)cc(Br)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA12 O43570 10/20 0.54
CA9 Q16790 10/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
RORC P51449 3/20 0.43

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
SCHEMBL13492097 0.93 CA1 (0.52) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2639656 0.90 CA1 (0.58) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2638680 0.88 CA1 (0.52) CA1CA2CA12CA9CA5A
SCHEMBL2640024 0.87 CA1 (0.59) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2638496 0.86 CA1 (0.49) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2639107 0.86 CA1 (0.53) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL3838299 0.84 CA1 (0.51) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2638808 0.83 CA1 (0.54) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2640076 0.82 CA1 (0.55) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2638989 0.81 CA1 (0.48) CA1CA2CA12CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4810529-B2 2011-11-09 JP claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP claimed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO claimed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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 (3 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 CA1 4540/4885CA2 4665/4885CA12 4403/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 CA1 4673/4885CA2 4716/4885CA12 4711/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 CA1 4809/4885CA2 4789/4885CA12 4875/4885

“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.