SCHEMBL16645979

SCHEMBL16645979

Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1c(O)c(=O)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 5/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
CNR1 P21554 1/20 0.38
PDE2A O00408 3/20 0.36
SCN8A Q9UQD0 2/20 0.36
MMP13 P45452 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL15981228 1.00 CYP2C9 (0.43) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15969419 1.00 CYP2C9 (0.43) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15969670 0.91 CYP2C9 (0.41) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15969669 0.91 CYP2C9 (0.41) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15978934 0.86 CNR1 (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL15978935 0.86 CNR1 (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL15969813 0.85 KMT2A (0.40) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15969812 0.85 KMT2A (0.40) CYP2C9KMT2AMEN1NPC1RAB9A
SCHEMBL15978936 0.75 POLB (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL14829878 0.74 GAA (0.51) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760840-B1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 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 (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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL CYP2C9 1107/4885KMT2A 1068/4885MEN1 4291/4885

“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.