SCHEMBL13148227

SCHEMBL13148227

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CC(C(=O)OCc1ccccc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.47
▸ PREP P48147 4/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ UCHL1 P09936 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ CTRB1 P17538 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ FKBP1A P62942 1/20 0.41

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
SCHEMBL13148220 0.88 KMT2A (0.47) KMT2AMEN1UCHL1NPC1USP30
SCHEMBL13148218 0.87 NPC1 (0.48) KMT2AMEN1UCHL1NPC1USP30
SCHEMBL12159691 0.85 KLK7 (0.52) KLK7PREPKMT2AMEN1UCHL1
SCHEMBL3390852 0.82 CMA1 (0.49) KLK7PREPKMT2AMEN1NPC1
SCHEMBL3390847 0.82 CMA1 (0.49) KLK7PREPKMT2AMEN1NPC1
SCHEMBL5248179 0.77 KLK7 (0.56) KLK7PREPKMT2AMEN1CTRB1
SCHEMBL13747280 0.77 KLK7 (0.53) KLK7PREPKMT2AMEN1NPC1
SCHEMBL5970730 0.77 KLK7 (0.66) KLK7PREPKMT2AMEN1FKBP1A
SCHEMBL159104 0.77 KLK7 (0.66) KLK7PREPKMT2AMEN1FKBP1A
SCHEMBL159105 0.77 KLK7 (0.66) KLK7PREPKMT2AMEN1FKBP1A

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-8288562-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 — — US disclosed
US-8288562-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 — — US disclosed
US-20100233120-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-16 — — US disclosed
US-20100233120-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-16 — — 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-20100233120-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KLK7 3500/4885PREP 2563/4885KMT2A 4516/4885

“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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