SCHEMBL12158564

SCHEMBL12158564

Cc1nc(CC(=O)C(C)C)cs1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.45
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
PKM P14618 1/20 0.41

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
SCHEMBL6296552 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL19334134 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL856450 0.79 GABRA5 (0.61) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL7795327 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL13496369 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL16770017 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL5544014 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL12883290 0.76 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL16770015 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL12868364 0.75 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO 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-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-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 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-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (12 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 SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT SMN1; SMN2 4625/4885NPC1 3264/4885RAB9A 4483/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20140017195-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885

“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.