SCHEMBL1506552

SCHEMBL1506552

Cc1cc(C(F)(F)F)ncc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
POLQ O75417 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
LOX P28300 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDO1 P14902 2/20 0.31
OPRL1 P41146 2/20 0.31
DHODH Q02127 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL16389698 0.83 TRPV4 (0.38) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL14183073 0.80 NOS3 (0.44) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL17949359 0.80 TRPV4 (0.41) TRPV4CA2CHKALOXL2LOX
SCHEMBL3713174 0.77 TRPV4 (0.39) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL25933187 0.77 TRPV4 (0.39) TRPV4CA2CHKAKDM4ELOXL2
SCHEMBL3713084 0.75 CA2 (0.45) TRPV4CA2CHKAKDM4EHSP90AA1
SCHEMBL3708073 0.75 TRPV4 (0.38) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL1506481 0.75 UHRF1 (0.54) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL22538486 0.75 TRPV4 (0.42) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL31548022 0.75 TRPV4 (0.38) TRPV4CA2CHKAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP TRPV4 4604/4885CA2 4284/4885CHKA 230/4885

“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.