SCHEMBL3333926

SCHEMBL3333926

CCOC(=O)c1ncsc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
HSD17B10 Q99714 4/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 6/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
ILK Q13418 1/20 0.41
BRD4 O60885 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40

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
SCHEMBL27766706 0.90 KDM4E (0.50) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL31575 0.84 KDM4E (0.58) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL2022385 0.84 TSHR (0.44) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL3330523 0.83 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL691044 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2HSD17B10KMT2AKDM4E
SCHEMBL1249727 0.82 TSHR (0.43) ALDH1A1CYP1A2HSD17B10KMT2AKDM4E
SCHEMBL29706037 0.82 CDC7 (0.47) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL19940202 0.81 HSD17B10 (0.46) ALDH1A1CYP1A2HSD17B10GAAKMT2A
SCHEMBL3334719 0.81 TSHR (0.42) ALDH1A1CYP1A2HSD17B10KMT2AKDM4E
SCHEMBL4297707 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384204-B Enol silicon ether compound, preparation method and application thereof 康龙化成手性医药技术(宁波)有限公司 2024-08-23 CN disclosed
CN-117384204-A Enol silicon ether compound, preparation method and application thereof 康龙化成手性医药技术(宁波)有限公司 2024-01-12 CN disclosed
CN-117362316-A Synthesis method of tetrahydropyrrolothiazole compound 康龙化成手性医药技术(宁波)有限公司 2024-01-09 CN disclosed
EP-2699617-A1 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2014-02-26 EP disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
WO-2012143081-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2012-10-26 WO disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ALDH1A1 1902/4885CYP1A2 330/4885HSD17B10 1543/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT ALDH1A1 1218/4885CYP1A2 1068/4885HSD17B10 939/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885CYP1A2 1120/4885HSD17B10 554/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ALDH1A1 2788/4885CYP1A2 4127/4885HSD17B10 1111/4885

“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.