SCHEMBL179677

SCHEMBL179677

CC(=O)NCCSC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 1/20 0.46
MTNR1A P48039 7/20 0.44
MTNR1B P49286 7/20 0.44
ZDHHC7 Q9NXF8 1/20 0.40
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 3/20 0.39
ADRA1A P35348 1/20 0.38
F13A1 P00488 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 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
SCHEMBL22681258 0.80 TSHR (0.40) TSHRALDH1A1
SCHEMBL12607684 0.80 POLB (0.41) TSHRALDH1A1MAPK1KMT2AHDAC3
SCHEMBL12286077 0.79 TSHR (0.38) TSHRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL21153559 0.78 ALDH1A1 (0.39) TSHRALDH1A1MAPK1
SCHEMBL17633835 0.78 MEN1 (0.52) TSHRALDH1A1KMT2A
SCHEMBL23419312 0.77 ALDH1A1 (0.48) TSHRALDH1A1KMT2AHDAC3HDAC4
SCHEMBL22013330 0.77 MAPK1 (0.44) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL917149 0.75 TSHR (0.71) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL24244862 0.75 TSHR (1.00) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL12285924 0.75 ZDHHC20 (0.47) TSHRALDH1A1MAPK1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed
EP-3749670-B1 5-ALKYLTHIO-7-[(4-ARYLBENZYL)AMINO]-1(2)H-PYRAZOLO[4,3-D]PYRIMIDINES FOR TREATMENT OF LYMPHOMA UNIV PALACKEHO (CZ) 2021-10-06 EP disclosed
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-03-29 US disclosed
US-20180071404-A1 TREATMENT OF CANCER CERULEAN PHARMA INC (US) 2018-03-15 US disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-9598503-B2 Methods and systems for polymer precipitation and generation of particles CERULEAN PHARMA INC. (US) 2017-03-21 US disclosed
US-20160002232-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-01-07 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20130029909-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2013-01-31 US disclosed
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors ARRAY BIOPHARMA INC. (US) 2012-10-11 US disclosed
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120114658-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2012-05-10 US disclosed
US-20120064071-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 US disclosed
US-20090258870-A1 NOVEL ANSAMITOCIN DERIVATIVES LEIBNIZ UNIVERSITAT HANNOVER (DE) 2009-10-15 US disclosed
WO-2009124723-A2 NOVEL AUREOTHIN DERIVATIVES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2009-10-15 WO disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 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 (12 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-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 TSHR 4340/4885ALDH1A1 3011/4885KDM4E 4601/4885
US-20120114658-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20090258870-A1 NOVEL ANSAMITOCIN DERIVATIVES CGAS, FABP6, NISCH TSHR 3629/4885ALDH1A1 820/4885KDM4E 3675/4885
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 TSHR 4340/4885ALDH1A1 3011/4885KDM4E 4601/4885
US-20130029909-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS LTK, MUSK, FGFR1 TSHR 177/4885ALDH1A1 2533/4885KDM4E 1420/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 TSHR 3297/4885ALDH1A1 2837/4885KDM4E 3474/4885
US-20120064071-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TSHR 2636/4885ALDH1A1 2646/4885KDM4E 4388/4885
US-20180071404-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B TSHR 3647/4885ALDH1A1 1266/4885KDM4E 2821/4885
US-20120258952-A1 Substituted N-(1H-Indazol-4-yl)Imidazo[1,2-a]Pyridine-3-Carboxamide Compounds as cFMS Inhibitors AFF1, FLI1, F3 TSHR 1035/4885ALDH1A1 1771/4885KDM4E 1410/4885
US-20160002232-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS MUSK, TYRO3, IRAK3 TSHR 524/4885ALDH1A1 1984/4885KDM4E 1462/4885

“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.