SCHEMBL670200

SCHEMBL670200

COc1c(C)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NR4A2 P43354 1/20 0.51

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
SCHEMBL3918345 0.81 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4208427 0.79 KDM4E (0.51) AHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31744857 0.78 ALDH1A1 (0.51) AHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12778109 0.78 ALDH1A1 (0.50) AHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1875070 0.78 HSD17B10 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6826115 0.76 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4065612 0.76 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL9283140 0.76 AHR (0.48) AHRALDH1A1KDM4ESMN1; SMN2NR4A2
SCHEMBL11667064 0.76 GSK3B (0.54) AHRALDH1A1KDM4ESMN1; SMN2NR4A2
SCHEMBL9389880 0.74 NR4A2 (0.51) AHRALDH1A1KDM4ESMN1; SMN2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527022-A Asymmetric polysulfide compound and its synthesis method and use 华东师范大学 2021-10-22 CN claimed
CN-113527022-B Asymmetric polysulfide compound and its synthesis method and use 华东师范大学 2022-12-06 CN disclosed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
CN-113527022-A Asymmetric polysulfide compound and its synthesis method and use 华东师范大学 2021-10-22 CN disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-9604974-B2 Compounds as modulator of JAK-STAT pathway, methods and applications thereof UNIVERSITY OF MYSORE (IN) 2017-03-28 US disclosed
US-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-07-28 US disclosed
EP-2606032-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA University Of Washington Through Its Center For Commercialization (US) 2013-06-26 EP disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 AHR 4861/4885TUBB4A 1765/4885TUBB 1215/4885
US-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF STAT3, STAT1, JAK2 AHR 3146/4885TUBB4A 1979/4885TUBB 1673/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES AHR 609/4885TUBB4A 3549/4885TUBB 4312/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES AHR 609/4885TUBB4A 3549/4885TUBB 4312/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES AHR 609/4885TUBB4A 3549/4885TUBB 4312/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES AHR 609/4885TUBB4A 3549/4885TUBB 4312/4885

“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.