SCHEMBL175156

SCHEMBL175156

C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.76
KDM3B Q7LBC6 1/20 0.37
POLB P06746 2/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12039657 1.00 SLC22A4 (0.76) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL745229 1.00 SLC22A4 (0.76) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL9985141 0.86 SLC22A4 (1.00) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL20925250 0.85 SLC22A4 (0.72) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL20925187 0.84 SLC22A4 (0.70) SLC22A4KDM3BPOLBGAAKMT2A
SCHEMBL9604220 0.79 SLC22A4 (0.55) SLC22A4KDM3BPOLBGAAKMT2A
SCHEMBL1867165 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL12800006 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL1867162 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL9604977 0.75 SLC22A4 (0.51) SLC22A4KDM3BGAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960235-A Application and method of biomarker in preparation of lung cancer detection reagent 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2022-01-21 CN claimed
CN-119490468-A Solid forms of acanthogenesis promoting agent 斯皮诺吉尼克斯公司 2025-02-21 CN disclosed
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO disclosed
CN-113234652-B Construction method and application of engineering bacteria for efficiently synthesizing ergothioneine 江南大学 2022-09-27 CN disclosed
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Consorcio Centro de Investigación Biomédica en Red, M.P. (ES) 2022-08-25 US disclosed
CN-114667346-A EanB enzyme mutant and application thereof 南京纽邦生物科技有限公司 2022-06-24 CN disclosed
CN-113189214-B Large yellow croaker proliferation and releasing molecular marker and screening method thereof 宁波大学 2022-06-21 CN disclosed
EP-4004541-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Fundació Institut d'Investigació Biomèdica de Bellvitge (IDIBELL) (ES) 2022-06-01 EP disclosed
CN-111534535-B Method for constructing ergothioneine producing strain 浙江华睿生物技术有限公司 2022-02-22 CN disclosed
EP-3110507-B1 COMPOSITIONS AND METHODS FOR THE REDUCTION OR PREVENTION OF HEPATIC STEATOSIS NUSIRT SCIENCES INC (US) 2020-11-18 EP disclosed
WO-2006127987-A2 TREATMENT OF EYE DISORDERS WITH SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
EP-1708689-A2 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS The President and Fellows of Harvard College (US) 2006-10-11 EP disclosed
WO-2006105403-A2 TREATMENT OF EYE DISORDERS WITH SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
WO-2006079021-A2 USE OF SIRTUIN-ACTIVATING COMPOUNDS FOR TREATING FLUSHING AND DRUG INDUCED WEIGHT GAIN SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060111435-A1 Contacting cells with sirtuin activator or inhibitor; increasing or decreasing fat accumulation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-25 US disclosed
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2006-04-20 US disclosed
WO-2006007411-A2 METHODS AND COMPOSITIONS FOR MODULATING BAX-MEDIATED APOPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-01-19 WO disclosed
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-08-04 US disclosed
WO-2005065667-A2 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-07-21 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 (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-20060111435-A1 Contacting cells with sirtuin activator or inhibitor; increasing or decreasing fat accumulation FABP4, PLIN1, SIRT1 SLC22A4 3852/4885KDM3B 609/4885POLB 3656/4885
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF BHMT2, GNMT, BHMT SLC22A4 157/4885KDM3B 2722/4885POLB 3203/4885
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis BAX, BCL2, CASP3 SLC22A4 4142/4885KDM3B 2452/4885POLB 1489/4885
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders FABP4, GPR119, SIRT1 SLC22A4 3792/4885KDM3B 972/4885POLB 3863/4885

“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.