SCHEMBL1893337

SCHEMBL1893337

CC(c1cc(C(F)(F)F)ccc1I)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.44
CETP P11597 4/20 0.41
MDM2 Q00987 1/20 0.40
SERPINE1 P05121 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL3553343 0.83 TACR1 (0.43) TACR1CETPSERPINE1TRPM8EPHX1
SCHEMBL3554374 0.82 TACR1 (0.42) TACR1CETPSERPINE1TRPM8
SCHEMBL5148340 0.81 TACR1 (0.41) TACR1CETPSERPINE1
SCHEMBL1896131 0.78 TACR1 (0.39) TACR1CETPSERPINE1TRPM8EPHX1
SCHEMBL3729587 0.76 TACR1 (0.43) TACR1CETP
SCHEMBL4183431 0.76 CETP (0.67) CETP
SCHEMBL3729637 0.76 CETP (0.62) CETP
SCHEMBL3554917 0.74 CETP (0.61) CETP
SCHEMBL5147175 0.74 TACR1 (0.46) TACR1SERPINE1
SCHEMBL3551798 0.73 CETP (0.49) TACR1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-7935727-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-20090124689-A1 CETP Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 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 (2 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-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 TACR1 3645/4885CETP 1/4885MDM2 3889/4885
US-20090124689-A1 CETP Inhibitors CETP, APOB, MTTP TACR1 3027/4885CETP 1/4885MDM2 2617/4885

“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.