SCHEMBL3390847

SCHEMBL3390847

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CC(=O)OCc1ccccc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ KLK7 P49862 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PREP P48147 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43

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
SCHEMBL3390852 1.00 CMA1 (0.49) CMA1CTRB1KMT2AMEN1USP30
SCHEMBL3392919 0.88 NPC1 (0.52) CMA1KMT2AMEN1USP30NPC1
SCHEMBL3392922 0.88 NPC1 (0.52) CMA1KMT2AMEN1USP30NPC1
SCHEMBL11596068 0.87 CTRB1 (0.53) CMA1CTRB1KMT2AMEN1KLK7
SCHEMBL7211627 0.84 CTRB1 (0.55) CMA1CTRB1KMT2AMEN1NPC1
SCHEMBL27471050 0.84 CTRB1 (0.55) CMA1CTRB1KMT2AMEN1NPC1
SCHEMBL30689115 0.82 KMT2A (0.51) CMA1CTRB1KMT2AMEN1KLK7
SCHEMBL13148227 0.82 KLK7 (0.47) CTRB1KMT2AMEN1USP30NPC1
SCHEMBL8422163 0.81 CTRB1 (0.53) CMA1CTRB1KMT2AMEN1NPC1
SCHEMBL17002153 0.81 CTRB1 (0.53) CMA1CTRB1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
US-20140017195-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 — — US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 — — US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 — — US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
EP-2242752-B1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 — — EP disclosed
EP-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 — — EP disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — 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 (3 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CMA1 1949/4885CTRB1 225/4885KMT2A 4516/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CMA1 1949/4885CTRB1 225/4885KMT2A 4516/4885
US-20140017195-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CMA1 1949/4885CTRB1 225/4885KMT2A 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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