SCHEMBL3202642

SCHEMBL3202642

COC(=O)C(C)NCCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 5/20 0.44
CA12 O43570 4/20 0.44
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CYP2D6 P10635 1/20 0.36
CA7 P43166 2/20 0.33
DGAT1 O75907 1/20 0.33
EPHX2 P34913 1/20 0.33
MLYCD O95822 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL5801334 0.94 CA14 (0.40) CA14CA12CA2CA1CYP2D6
SCHEMBL3193199 0.84 MEN1 (0.40) CA14CA12CA2CA1CYP2D6
SCHEMBL2324579 0.84 MEN1 (0.40) CA14CA12CA2CA1CYP2D6
SCHEMBL3670762 0.83 CYP2D6 (0.41) CA14CA12CA2CA1CYP2D6
SCHEMBL4095492 0.82 CA14 (0.46) CA14CA12CA2CA1CYP2D6
SCHEMBL7431200 0.82 CA14 (0.46) CA14CA12CA2CA1CYP2D6
SCHEMBL29023037 0.79 GAA (0.45) CA14TSHRGAAKMT2A
SCHEMBL13613755 0.79 CA12 (0.44) CA14CA12CA2CA1CA7
SCHEMBL2153082 0.78 CA12 (0.50) CA14CA12CA2CA1CA7
SCHEMBL14206399 0.78 CA12 (0.50) CA14CA12CA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MERCK PATNET GMBH (DE) 2007-03-08 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-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MTTP, CETP, APOB CA14 4880/4885CA12 4863/4885CA2 3594/4885

“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.