SCHEMBL2639477

SCHEMBL2639477

N#Cc1cc(Oc2cc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.47
CA1 P00915 11/20 0.47
CA2 P00918 11/20 0.47
CA9 Q16790 11/20 0.47
CA12 O43570 7/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RORC P51449 2/20 0.46
MAPT P10636 1/20 0.46
CA7 P43166 5/20 0.42
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 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
SCHEMBL2640174 0.91 CA1 (0.54) P2RX4CA1CA2CA9CA12
SCHEMBL2639671 0.90 CA1 (0.52) P2RX4CA1CA2CA9CA12
SCHEMBL2638407 0.89 CA1 (0.53) P2RX4CA1CA2CA9CA12
SCHEMBL2638684 0.88 CA1 (0.46) P2RX4CA1CA2CA9CA12
SCHEMBL14626270 0.86 CA1 (0.48) P2RX4CA1CA2CA9CA12
SCHEMBL4604312 0.84 CA1 (0.54) P2RX4CA1CA2CA9CA12
SCHEMBL2638839 0.82 RORC (0.46) KMT2ARORC
SCHEMBL2639159 0.82 CA2 (0.51) P2RX4CA1CA2CA9CA12
SCHEMBL4604671 0.82 CA1 (0.53) P2RX4CA1CA2CA9CA12
SCHEMBL2639768 0.81 MAPT (0.47) MEN1KMT2ARORCMAPT

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 P2RX4 860/4885CA1 4540/4885CA2 4665/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 P2RX4 1208/4885CA1 4673/4885CA2 4716/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 P2RX4 2194/4885CA1 4809/4885CA2 4789/4885

“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.