SCHEMBL2639293

SCHEMBL2639293

COC(=O)COc1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
DDR1 Q08345 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BRAF P15056 1/20 0.40
KLK7 P49862 1/20 0.39
LMNA P02545 1/20 0.39
PSMB5 P28074 1/20 0.39
NPC1 O15118 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
SCHEMBL4603631 0.93 ALDH1A1 (0.46) RORCCSF1RRETPDGFRBKIT
SCHEMBL2639012 0.91 RORC (0.46) RORCCSF1RRETPDGFRBKIT
SCHEMBL3836027 0.90 RORC (0.43) RORCCSF1RRETPDGFRBKIT
SCHEMBL2638433 0.89 RORC (0.44) RORCCSF1RRETPDGFRBKIT
SCHEMBL2639768 0.88 MAPT (0.47) RORCCSF1RRETPDGFRBKIT
SCHEMBL2638287 0.87 RORC (0.44) RORCCSF1RRETPDGFRBKIT
SCHEMBL2639434 0.87 L3MBTL1 (0.43) RORCCSF1RRETPDGFRBKIT
SCHEMBL2639066 0.87 MEN1 (0.49) RORCCSF1RRETPDGFRBKIT
SCHEMBL2639011 0.86 RORC (0.42) RORCCSF1RRETPDGFRBKIT
SCHEMBL2640022 0.86 RORC (0.46) RORCCSF1RRETPDGFRBKIT

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 82/4885CSF1R 240/4885RET 2160/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 RORC 192/4885CSF1R 148/4885RET 1610/4885

“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.