Sugi Predict

Sugi Predict / Compounds / SCHEMBL691374

SCHEMBL691374

SCHEMBL691374

CC(C)(C)OC(=O)N1CCCC1c1nc(C(=O)O)c(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ HCRTR1 O43613 7/20 0.43
▸ HCRTR2 O43614 7/20 0.43
▸ UCHL1 P09936 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL28012328 1.00 KMT2A (0.45) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL12159692 0.90 KMT2A (0.44) KMT2AHCRTR1HCRTR2UCHL1USP30
SCHEMBL691371 0.90 KMT2A (0.44) KMT2AHCRTR1HCRTR2UCHL1USP30
SCHEMBL691370 0.90 KMT2A (0.44) KMT2AHCRTR1HCRTR2UCHL1USP30
SCHEMBL1294249 0.88 KMT2A (0.45) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL1294250 0.88 KMT2A (0.45) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL12159693 0.88 KMT2A (0.45) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL27780183 0.88 KMT2A (0.45) KMT2AHCRTR1HCRTR2UCHL1ALDH1A1
SCHEMBL11898176 0.86 CYP3A4 (0.52) HCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL12159694 0.86 PRMT5 (0.42) KMT2AHCRTR1HCRTR2USP30MEN1

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 49 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-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-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
CN-101534829-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-06-17 — — CN disclosed
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 — — US disclosed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 — — US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 — — US disclosed
EP-2049116-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 — — EP disclosed
EP-2049114-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 — — EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — 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-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 (9 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885HCRTR1 4453/4885HCRTR2 4639/4885

“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.