SCHEMBL2639012

SCHEMBL2639012

COC(=O)Cc1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
DDR1 Q08345 1/20 0.42
LMNA P02545 2/20 0.41
KLK7 P49862 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2638433 0.91 RORC (0.44) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2639293 0.91 RORC (0.44) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2639768 0.91 MAPT (0.47) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL3837011 0.90 NR1H4 (0.49) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2639434 0.90 L3MBTL1 (0.43) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2639066 0.89 MEN1 (0.49) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2639011 0.89 RORC (0.42) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2640022 0.89 RORC (0.46) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2638078 0.88 LMNA (0.51) RORCEPHX2ALDH1A1MEN1KMT2A
SCHEMBL2638278 0.87 RORC (0.45) RORCEPHX2ALDH1A1MEN1KMT2A

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 RORC 82/4885EPHX2 2943/4885ALDH1A1 261/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 RORC 192/4885EPHX2 3243/4885ALDH1A1 428/4885

“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.