SCHEMBL779080

SCHEMBL779080

COc1ccc2[nH]c(=S)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 9/20 0.61
KEAP1 Q14145 1/20 0.61
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
GFER P55789 2/20 0.53
POLB P06746 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL29475989 0.86 POLB (0.59) PSMB8KEAP1HSD17B10HPGDGFER
SCHEMBL29032688 0.86 POLB (0.59) PSMB8KEAP1HSD17B10HPGDGFER
SCHEMBL8703483 0.83 ALDH1A1 (0.52) PSMB8KEAP1HSD17B10HPGDGFER
Coixol SCHEMBL912220 0.79 NOS1 (0.61) HSD17B10HPGDGFERPOLBKDM4E
Coixol SCHEMBL29389732 0.79 NOS1 (0.61) HSD17B10HPGDGFERPOLBKDM4E
SCHEMBL8703017 0.78 PSMB8 (0.46) PSMB8KEAP1POLBKDM4EALDH1A1
SCHEMBL799525 0.76 PSMB8 (1.00) PSMB8KEAP1HSD17B10HPGDKDM4E
SCHEMBL30698828 0.76 PSMB8 (0.52) PSMB8KEAP1HPGDPOLBKDM4E
SCHEMBL1734409 0.73 POLB (0.45) PSMB8KEAP1POLB
SCHEMBL24465539 0.72 PSMB8 (0.53) PSMB8KEAP1HSD17B10HPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-4216284-A NONDIFFUSIBLE SILVER BLEACH INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1980-08-05 US disclosed
US-4001020-A DEVELOPING A SILVER HA1IDE EMULSION IN CONTACT WITH A HETEROCYCLIC THIONE AND A POLYALKYLENE OXIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-01-04 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 (4 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885HSD17B10 3329/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885HSD17B10 3329/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 PSMB8 1614/4885KEAP1 1980/4885HSD17B10 3888/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885HSD17B10 3329/4885

“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.