SCHEMBL692266

SCHEMBL692266

CCOC(=O)C(OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ UCHL1 P09936 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KLK7 P49862 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ FKBP1A P62942 2/20 0.39

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
SCHEMBL692265 1.00 KMT2A (0.48) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL13747276 0.92 KMT2A (0.49) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL22673801 0.91 MEN1 (0.53) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL12159690 0.90 NPC1 (0.50) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL22674061 0.89 MEN1 (0.50) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL22674058 0.89 MEN1 (0.50) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL12159691 0.88 KLK7 (0.52) KMT2AMEN1NPC1UCHL1LMNA
SCHEMBL22673848 0.88 MEN1 (0.49) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL10201472 0.85 NPC1 (0.48) KMT2AMEN1NPC1UCHL1ALDH1A1
SCHEMBL10121193 0.84 NPC1 (0.51) KMT2AMEN1NPC1UCHL1ALDH1A1

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (5 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885NPC1 65/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885NPC1 65/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885NPC1 65/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885NPC1 65/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885MEN1 4867/4885NPC1 65/4885

“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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