SCHEMBL2638397

SCHEMBL2638397

CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
P2RX4 Q99571 5/20 0.45
RORC P51449 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2B P18089 1/20 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
SCHEMBL2638167 0.91 RORC (0.44) RORC
SCHEMBL2638407 0.90 CA1 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL4602268 0.90 CA1 (0.53) CA1CA2CA12CA9KMT2A
SCHEMBL2639938 0.90 CA1 (0.53) CA1CA2CA12CA9KMT2A
SCHEMBL2638451 0.89 CA1 (0.55) CA1CA2CA12CA9RORC
SCHEMBL4604671 0.89 CA1 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL2638904 0.88 CA1 (0.46) CA1CA2CA12CA9P2RX4
SCHEMBL4602886 0.88 CA1 (0.53) CA1CA2CA12CA9P2RX4
SCHEMBL2638848 0.87 CA1 (0.46) CA1CA2CA12CA9MEN1
SCHEMBL2638227 0.87 LMNA (0.46) KMT2ALMNAP2RX4RORCSMN1; 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.