SCHEMBL1734029

SCHEMBL1734029

COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.74
MAPT P10636 5/20 0.74
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
HTT P42858 1/20 0.74
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
GAA P10253 1/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 3/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GFER P55789 1/20 0.59
REV1 Q9UBZ9 2/20 0.59
POLB P06746 1/20 0.59
DEGS1 O15121 1/20 0.57

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
SCHEMBL13677005 0.88 CA1 (0.71) TSHRMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1736301 0.87 CA1 (0.70) TSHRMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL23632082 0.82 PPARD (0.64) TSHRMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1734028 0.80 MAPT (0.61) TSHRMAPTALDH1A1HTTCA1
SCHEMBL10913998 0.75 ALDH1A1 (0.67) TSHRMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL8692742 0.75 MEN1 (0.71) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL5540273 0.74 CA2 (0.56) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL12585028 0.74 REV1 (0.80) TSHRMAPTALDH1A1HTTCA1
SCHEMBL16900137 0.74 ALDH1A1 (0.66) TSHRMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7441384 0.74 CA1 (0.58) MAPTALDH1A1HTTCA1CA2

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 TSHR 3198/4885MAPT 1796/4885ALDH1A1 3312/4885

“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.