SCHEMBL2639465

SCHEMBL2639465

CS(=O)(=O)c1ccc(F)c(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
RORC P51449 5/20 0.42
EPAS1 Q99814 2/20 0.42
CHEK1 O14757 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
KMT2A Q03164 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL2638991 0.90 CA1 (0.49) ALDH1A1MAPTRORCCHEK1CA12
SCHEMBL2638839 0.86 RORC (0.46) RORCCHEK1KMT2A
SCHEMBL2639099 0.84 P2RX7 (0.43) ALDH1A1MAPTRORCKMT2AGAA
SCHEMBL3222675 0.84 MEN1 (0.51) ALDH1A1MAPTRORCKMT2AGAA
SCHEMBL2639051 0.79 PLA2G7 (0.44) RORC
SCHEMBL2638867 0.79 ALDH1A1 (0.50) ALDH1A1RORCKMT2AGAAP2RX7
SCHEMBL2640174 0.79 CA1 (0.54) RORCCA12CA1CA2CA9
SCHEMBL2639077 0.79 HPGD (0.47) ALDH1A1RORCKMT2AGAAP2RX7
SCHEMBL2638973 0.79 ALDH1A1 (0.54) ALDH1A1MAPTRORCKMT2AGAA
SCHEMBL2638409 0.78 MEN1 (0.51) ALDH1A1MAPTRORCKMT2AGAA

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 9 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-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 (2 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 ALDH1A1 261/4885MAPT 1849/4885RORC 82/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 ALDH1A1 428/4885MAPT 2976/4885RORC 192/4885

“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.