SCHEMBL772876

SCHEMBL772876

CC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.43
AKR1C3 P42330 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12449659 1.00 MAPK1 (0.50) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL12369 1.00 MAPK1 (0.50) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL12385777 0.86 TP53 (0.42) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL4760535 0.86 TP53 (0.42) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL264889 0.86 TP53 (0.42) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL13565718 0.86 ALDH1A1 (0.55) MAPK1TSHRALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL22134139 0.84 TP53 (0.41) MAPK1TSHRALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL22134137 0.84 TP53 (0.41) MAPK1TSHRALDH1A1LMNAKMT2A
SCHEMBL22455016 0.83 TSHR (0.47) TSHRALDH1A1LMNAKMT2AHTT
SCHEMBL3010358 0.83 TSHR (0.50) TSHRALDH1A1LMNAKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
WO-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed
WO-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (6 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MAPK1 1154/4885TSHR 4089/4885ALDH1A1 750/4885
US-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MAPK1 2764/4885TSHR 4101/4885ALDH1A1 1756/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 MAPK1 564/4885TSHR 2758/4885ALDH1A1 351/4885
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 MAPK1 73/4885TSHR 933/4885ALDH1A1 1181/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MAPK1 2764/4885TSHR 4101/4885ALDH1A1 1756/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 MAPK1 2764/4885TSHR 4101/4885ALDH1A1 1756/4885

“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.