SCHEMBL13094802

SCHEMBL13094802

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)NC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 10/20 0.46
▸ CFD P00746 7/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13093987 0.93 CETP (0.46) CETPCFDCHRM2CHRM1KLK7
SCHEMBL758801 0.92 CETP (0.48) CETPCFDCHRM2CHRM1
SCHEMBL13093639 0.92 CETP (0.45) CETPCFD
SCHEMBL14316641 0.91 CFD (0.45) CETPCFDCHRM2CHRM1KLK7
SCHEMBL762013 0.85 CETP (0.51) CETPCFDKLK7
SCHEMBL3068675 0.85 CETP (0.51) CETPCFDKLK7
SCHEMBL758239 0.80 CETP (0.48) CETPCHRM2CHRM1ALDH1A1
SCHEMBL13094020 0.79 CETP (0.51) CETPCFDKLK7ALDH1A1
SCHEMBL14297926 0.78 FKBP1A (0.52) CETPCFDKLK7
SCHEMBL13093995 0.78 FKBP1A (0.52) CETPCFDKLK7

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-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885CFD 1521/4885MEN1 3823/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885CFD 1521/4885MEN1 3823/4885

“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.

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