SCHEMBL3892811

SCHEMBL3892811

C[C@@H]1CN(C(=O)C(=O)O)C[C@H](C)O1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
PDK1 Q15118 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FKBP1A P62942 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL15106276 1.00 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15106278 1.00 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15106275 1.00 PKM (0.53) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15116635 0.84 PKM (0.51) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL4466642 0.84 PKM (0.51) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL2854416 0.83 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL20680545 0.83 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL20680182 0.83 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL3210127 0.83 SMN1; SMN2 (0.52) PKMMAPK1SMN1; SMN2PDK1ALDH1A1
SCHEMBL15125121 0.82 SMN1; SMN2 (0.47) PKMMAPK1SMN1; SMN2PDK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-2114947-B1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
EP-2114947-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-11-11 EP disclosed
US-7541352-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
WO-2008097796-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-14 WO disclosed
US-20080188458-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 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-20080188458-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PKM 3409/4885MAPK1 3844/4885SMN1; SMN2 3925/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PKM 4496/4885MAPK1 2081/4885SMN1; SMN2 4705/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 PKM 4496/4885MAPK1 2081/4885SMN1; SMN2 4705/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 PKM 4496/4885MAPK1 2081/4885SMN1; SMN2 4705/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PKM 4291/4885MAPK1 2880/4885SMN1; SMN2 4657/4885

“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.