SCHEMBL1637849

SCHEMBL1637849

CCCCc1cc[c]c(SC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 4/20 0.32
PTGS2 P35354 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1637750 0.89 CNR1 (0.37) NPC1RAB9ALPLLIPG
SCHEMBL1638285 0.81 TRPA1 (0.34) CYP1A2TP53
SCHEMBL5696312 0.81 PTGS2 (0.42) LPLLIPGALDH1A1HSD17B10CYP3A4
SCHEMBL4822932 0.80 SKP2 (0.36) SKP2HPGDNPC1MAPK1HTT
SCHEMBL15066937 0.77 SKP2 (0.44) SKP2HPGDNPC1MAPK1HTT
SCHEMBL1741603 0.77 SKP2 (0.48) SKP2HPGDNPC1MAPK1HTT
SCHEMBL677715 0.76 SKP2 (0.43) SKP2HPGDNPC1MAPK1HTT
SCHEMBL4432930 0.74 SKP2 (0.42) SKP2HPGDNPC1MAPK1HTT
SCHEMBL11134188 0.74 NPC1 (0.50) SKP2HPGDNPC1MAPK1HTT
SCHEMBL921792 0.74 SKP2 (0.42) SKP2HPGDNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822055-B A kind of method of 2- butyl -1,2- benzisothiazole-3-ketone 常州大学 2019-07-26 CN claimed
CN-108822055-A A kind of new method of 2- butyl -1,2- benzisothiazole-3-ketone 常州大学 2018-11-16 CN claimed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP disclosed
EP-1953160-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with a cyclic amino group as CRF antagonists TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-08-06 EP disclosed
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
EP-1781652-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-09 EP disclosed
WO-2006001501-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed
CN-1692115-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2005-11-02 CN disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 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 (6 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 SKP2 1221/4885HPGD 360/4885NPC1 1812/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 SKP2 1288/4885HPGD 352/4885NPC1 1757/4885
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists CRHR1, CRHR2, HRH4 SKP2 1254/4885HPGD 436/4885NPC1 1746/4885
US-20070293670-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with Tetrahydropyridine as Crf Antagonists HRH4, HRH2, HRH1 SKP2 1196/4885HPGD 320/4885NPC1 1460/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 SKP2 925/4885HPGD 418/4885NPC1 1544/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 SKP2 1187/4885HPGD 451/4885NPC1 1850/4885

“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.