SCHEMBL1734099

SCHEMBL1734099

N#Cc1cc(N)c(O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
TTR P02766 2/20 0.39
ALB P02768 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.38
P4HB P07237 2/20 0.37
AR P10275 8/20 0.37
CYP2C9 P11712 1/20 0.36
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PGR P06401 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL17914246 0.80 TTR (0.52) TTRALBMEN1KMT2ACA12
SCHEMBL3303202 0.78 TRPV4 (0.44) TRPV4KIF11P4HBARXDH
SCHEMBL23621183 0.78 TTR (0.64) TRPV4TTRALBMEN1KMT2A
SCHEMBL3009450 0.75 TTR (0.43) TRPV4TTRALBMEN1KMT2A
SCHEMBL5667750 0.74 CA1 (0.39) KIF11ARCYP2C9CA12CA1
SCHEMBL3640600 0.74 HRH4 (0.39) TTRALBMEN1KMT2AXDH
SCHEMBL568905 0.73 TRPV4 (0.53) TRPV4KIF11P4HBARSLC22A12
SCHEMBL1724867 0.73 KIF11 (0.51) TRPV4KIF11ARSLC22A12
SCHEMBL25678642 0.73 AR (0.33) TRPV4KIF11AR
SCHEMBL25732593 0.73 AR (0.33) TRPV4KIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 TRPV4 4296/4885TTR 474/4885ALB 2387/4885

“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.