SCHEMBL2941633

SCHEMBL2941633

NC(CS)C(=O)SSC(=O)C(N)CS

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
SLC7A11 Q9UPY5 1/20 0.55
ENPEP Q07075 9/20 0.37
ANPEP P15144 4/20 0.36
CPB2 Q96IY4 2/20 0.33
GGT1 P19440 2/20 0.31
GSR P00390 1/20 0.31
MMP2 P08253 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL2941639 1.00 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEPCPB2
Glycine SCHEMBL29049703 0.89 PTGS1 (0.50) PTGS1SLC7A11ENPEPANPEPCPB2
Glycine SCHEMBL29049701 0.89 PTGS1 (0.50) PTGS1SLC7A11ENPEPANPEPCPB2
SCHEMBL31114352 0.89 PTGS1 (0.44) PTGS1SLC7A11ENPEPANPEP
SCHEMBL30159759 0.87
SCHEMBL30159653 0.84 PTGS1 (0.44) PTGS1SLC7A11ENPEPANPEP
SCHEMBL456395 0.83 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEPCPB2
SCHEMBL28547750 0.83 PTGS1 (0.55) PTGS1SLC7A11ENPEPANPEPCPB2
SCHEMBL31130601 0.81
SCHEMBL359013 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116519812-A Application of biomarker in preparation of gestational diabetes diagnostic reagent 杭州凯莱谱精准医疗检测技术有限公司 2023-08-01 CN claimed
US-20230272007-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS INC (US) 2023-08-31 US disclosed
CN-116519812-A Application of biomarker in preparation of gestational diabetes diagnostic reagent 杭州凯莱谱精准医疗检测技术有限公司 2023-08-01 CN disclosed
US-20220119452-A1 Treatments for Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS INC (US) 2022-04-21 US disclosed
US-20210032292-A1 Treatments for Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS INC (US) 2021-02-04 US disclosed
US-20180186835-A1 Treatments for Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS INC (US) 2018-07-05 US disclosed
US-9708371-B2 Treatments for gastrointestinal disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
EP-2776055-B1 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20150094272-A1 Treatments for Gastrointestinal Disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2015-04-02 US disclosed
EP-2776055-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS Ironwood Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013025969-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2013-02-21 WO disclosed
US-20100305311-A1 NANOPARTICLE FOR SEPARATING PEPTIDE, METHOD FOR PREPARING THE SAME, AND METHOD FOR SEPARATING PEPTIDE USING THE SAME, KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION 2010-12-02 US disclosed
WO-2009069959-A2 A NANOPARTICLE FOR SEPARATING PEPTIDE, METHOD FOR PREPARING THE SAME, AND METHOD FOR SEPARATING PEPTIDE USING THE SAME KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2009-06-04 WO disclosed
US-6028066-A FOR DELIVERING HIGHER CONCENTRATIONS OF BIOACTIVE AGENTS TO IMPROVE EFFICACY OF THE BIOACTIVE AGENTS IMARX PHARMACEUTICAL CORP. (US) 2000-02-22 US disclosed
WO-1998050041-A1 NOVEL PRODRUGS COMPRISING FLUORINATED AMPHIPHILES IMARX PHARMACEUTICAL CORP. (US) 1998-11-12 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 (5 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-20150094272-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR PTGS1 155/4885SLC7A11 1999/4885ENPEP 371/4885
US-20230272007-A1 TREATMENTS FOR GASTROINTESTINAL DISORDERS GRPR, GIPR, GCGR PTGS1 156/4885SLC7A11 1998/4885ENPEP 375/4885
US-20180186835-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR PTGS1 156/4885SLC7A11 1998/4885ENPEP 375/4885
US-20220119452-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR PTGS1 156/4885SLC7A11 1998/4885ENPEP 375/4885
US-20210032292-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR PTGS1 156/4885SLC7A11 1998/4885ENPEP 375/4885

“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.