SCHEMBL15701129

SCHEMBL15701129

O=C(Nc1ccc(NC(=O)C(CCCN2CCOCC2)c2cccc(C(F)(F)F)c2)cn1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
TRPV4 Q9HBA0 8/20 0.43
LCK P06239 2/20 0.43
MAPK14 Q16539 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
CYP2C9 P11712 4/20 0.42
CYP2C8 P10632 3/20 0.42
CASR P41180 1/20 0.42
THRB P10828 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
SCHEMBL15701130 0.87 CYP2C9 (0.45) MAPK14CYP2C9CYP2C8
SCHEMBL15701247 0.85 LRRK2 (0.45) EPHX2TRPV4CYP2C9CYP2C8CASR
SCHEMBL15701225 0.84 CASR (0.44) EPHX2TRPV4CYP2C9CYP2C8CASR
SCHEMBL19446803 0.83 CYP2C9 (0.52) MAPK14CYP2C9CYP2C8
SCHEMBL15701246 0.81 LRRK2 (0.46) TRPV4CYP2C9CYP2C8CASRTHRB
SCHEMBL15701282 0.81 CYP2C9 (0.40) MAPK14CYP2C9CYP2C8
SCHEMBL19457525 0.79 CYP2C9 (0.38) CYP2C9CYP2C8
SCHEMBL15701081 0.78 CYP2C9 (0.52) MAPK14CYP2C9CYP2C8
SCHEMBL15701221 0.78 CYP2C9 (0.49) CYP2C9CYP2C8
SCHEMBL15701045 0.78 CYP2C9 (0.52) MAPK14CYP2C9CYP2C8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO 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 (1 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 EPHX2 3831/4885TRPV4 4858/4885LCK 2135/4885

“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.