SCHEMBL765701

SCHEMBL765701

CNC1CCS(=O)(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 3/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.32

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
Hydrochloric Acid SCHEMBL15549019 0.97 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL2055574 0.84
SCHEMBL2055572 0.84
SCHEMBL351597 0.84
Hydrochloric Acid SCHEMBL11200377 0.82 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL17207593 0.74 IRAK4 (0.44) SMN1; SMN2
SCHEMBL18502849 0.74 IRAK4 (0.44) SMN1; SMN2
SCHEMBL12820979 0.72 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL4875604 0.72
SCHEMBL8224831 0.72 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137607-A1 THIADIAZOLE DERIVATIVES AS INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-06-27 WO disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 WO disclosed
WO-2024019995-A1 QUINOXALINEDIONE AND PYRIDO [2, 3-B]PYRAZINE-2, 3-DIONE B CELL LYMPHOMA 6 (BCL6) DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-25 WO disclosed
WO-2023225477-A2 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023196993-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed
US-11345702-B1 PGDH inhibitors and methods of making and using MYOFORTE THERAPEUTICS, INC. (US) 2022-05-31 US disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US disclosed
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2006-09-07 US disclosed
WO-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 WO disclosed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 US disclosed
WO-2006052640-A1 5-HT4 RECEPTOR AGONIST COMPOUNDS THERAVANCE, INC. (US) 2006-05-18 WO disclosed
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome THERAVANCE, INC. (US) 2006-05-11 US disclosed
US-20060100426-A1 Quinolinone-carboxamide compounds THERAVANCE, INC. 2006-05-11 US disclosed
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-08 US disclosed
WO-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 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 (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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A ALDH1A1 2503/4885MAPT 2952/4885SMN1; SMN2 2732/4885
US-20060199839-A1 Quinolinone compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2375/4885MAPT 2978/4885SMN1; SMN2 3478/4885
US-20050197335-A1 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder HTR4, HTR5A, HTR3C ALDH1A1 637/4885MAPT 2864/4885SMN1; SMN2 1807/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885MAPT 1087/4885SMN1; SMN2 3117/4885
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B ALDH1A1 2518/4885MAPT 3716/4885SMN1; SMN2 3440/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B ALDH1A1 1634/4885MAPT 2189/4885SMN1; SMN2 3386/4885
US-20060100236-A1 For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome GIPR, GPR4, GPR119 ALDH1A1 3715/4885MAPT 4841/4885SMN1; SMN2 4376/4885
US-11345702-B1 PGDH inhibitors and methods of making and using HPGD, HPGDS, PTGS1 ALDH1A1 145/4885MAPT 4693/4885SMN1; SMN2 4413/4885
US-20060100426-A1 Quinolinone-carboxamide compounds HTR4, HTR5A, HTR2C ALDH1A1 2114/4885MAPT 2690/4885SMN1; SMN2 3575/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS ALDH1A1 170/4885MAPT 2662/4885SMN1; SMN2 4823/4885

“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.