SCHEMBL631317

SCHEMBL631317

CCOc1ccc(N=C=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
ADRA2A P08913 2/20 0.53
P2RY6 Q15077 1/20 0.52
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
MIF P14174 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
LTA4H P09960 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL24184661 0.93 NQO1 (0.50) NQO1ADRA2AP2RY6TDP1TSHR
SCHEMBL4195537 0.89 RELA (0.59) NQO1ADRA2AP2RY6KMT2AALDH1A1
SCHEMBL4195532 0.89 RELA (0.59) NQO1ADRA2AP2RY6KMT2AALDH1A1
SCHEMBL9362384 0.84 CYP2C9 (0.51) P2RY6TSHRALDH1A1CYP1A2MIF
SCHEMBL230798 0.82 NQO1 (0.56) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL3085833 0.80 CYP3A4 (0.49) NQO1ADRA2AP2RY6TDP1KMT2A
SCHEMBL17519938 0.79 P2RY6 (0.52) NQO1ADRA2AP2RY6KMT2AALDH1A1
SCHEMBL2367473 0.79 P2RY6 (0.47) P2RY6CYP1A2MIFMAPT
SCHEMBL11852926 0.79 P2RY6 (0.47) P2RY6TSHRKMT2AALDH1A1MIF
SCHEMBL24184660 0.78 CYP1A2 (0.46) P2RY6TSHRALDH1A1CYP1A2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139286-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
US-20240417377-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING ß-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. 2024-12-19 US disclosed
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea SYMBERIX, INC. (US) 2024-06-25 US disclosed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230139936-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-04 US disclosed
CN-112955433-A Compounds, compositions and methods for selectively inhibiting beta-glucuronidase and reducing side effects associated with drug therapy-induced diarrhea 赛伯克斯股份有限公司 2021-06-11 CN disclosed
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA SYMBERIX, INC. 2021-04-01 US disclosed
EP-3710003-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING Beta- -GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA Symberix, Inc. (US) 2020-09-23 EP disclosed
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
US-7022702-B2 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-04-04 US disclosed
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds QLT INC. (CA) 2006-01-12 US disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed
US-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds DERMIRA (CANADA), INC. 2003-05-22 US disclosed
US-5310724-A Pre- and postemergence; plant growth regulators FMC CORPORATION (US) 1994-05-10 US disclosed
US-5108486-A Herbicides KANAGAWA CHEMICAL LABORATORY, LTD. (JP) 1992-04-28 US disclosed
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 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 (10 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 NQO1 3399/4885ADRA2A 2043/4885P2RY6 278/4885
US-20230139936-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG NQO1 3723/4885ADRA2A 1214/4885P2RY6 1187/4885
US-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND1, CCND3 NQO1 1349/4885ADRA2A 818/4885P2RY6 2188/4885
US-20240417377-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING ß-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, ENGASE NQO1 824/4885ADRA2A 894/4885P2RY6 1893/4885
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea GUSB, SI, ENGASE NQO1 835/4885ADRA2A 903/4885P2RY6 1961/4885
US-20230167078-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG NQO1 3723/4885ADRA2A 1214/4885P2RY6 1187/4885
US-20060009500-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND3, ACIN1 NQO1 440/4885ADRA2A 364/4885P2RY6 3463/4885
US-20210094917-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SELECTIVELY INHIBITING B-GLUCURONIDASES AND ALLEVIATING SIDE EFFECTS ASSOCIATED WITH DRUG TREATMENT INDUCED DIARRHEA GUSB, SI, UGT2B7 NQO1 1251/4885ADRA2A 1089/4885P2RY6 1998/4885
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG NQO1 3723/4885ADRA2A 1214/4885P2RY6 1187/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 NQO1 1298/4885ADRA2A 687/4885P2RY6 536/4885

“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.