SCHEMBL12686992

SCHEMBL12686992

C[C@H]1CC[C@@H](c2ncc(-c3ccc(Br)cc3F)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
HPGDS O60760 3/20 0.38
GPR119 Q8TDV5 6/20 0.35
PRCP P42785 2/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
F11 P03951 1/20 0.33
SSTR3 P32745 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL6126830 0.85 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL883169 0.85 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL10201134 0.85 USP30 (0.37) USP30HPGDSGPR119PRCPHCRTR1
SCHEMBL10182462 0.85 USP30 (0.37) USP30HPGDSGPR119PRCPHCRTR1
SCHEMBL689825 0.84 PRCP (0.46) USP30HPGDSPRCPHCRTR1HCRTR2
SCHEMBL689826 0.84 PRCP (0.46) USP30HPGDSPRCPHCRTR1HCRTR2
SCHEMBL1293420 0.84 HPGDS (0.42) USP30HPGDSGPR119PRCPHCRTR1
SCHEMBL16907949 0.84 HPGDS (0.42) USP30HPGDSGPR119PRCPHCRTR1
SCHEMBL1293419 0.84 HPGDS (0.42) USP30HPGDSGPR119PRCPHCRTR1
SCHEMBL17249887 0.84 HPGDS (0.42) USP30HPGDSGPR119PRCPHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912031-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-9561212-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-07 US disclosed
US-9546160-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20160338999-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-9340520-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-17 US disclosed
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-09-10 US disclosed
WO-2014065791-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-01 WO disclosed
US-20140012020-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-09 US disclosed
US-8552047-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-08 US disclosed
US-20130121957-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-16 US disclosed
US-20130028859-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012154777-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-15 WO disclosed
WO-2012109080-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-16 WO 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-20130028859-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885HPGDS 582/4885GPR119 1895/4885
US-20140012020-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885HPGDS 582/4885GPR119 1895/4885
US-20160338999-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS USP30 2534/4885HPGDS 582/4885GPR119 1895/4885
US-20130121957-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885HPGDS 582/4885GPR119 1895/4885
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS USP30 2534/4885HPGDS 582/4885GPR119 1895/4885

“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.