SCHEMBL9953282

SCHEMBL9953282

Cc1cc(C)c(S(=O)(=O)OC(N)=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 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
SCHEMBL9953277 0.81 F2 (0.47) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14810150 0.79 CA1 (0.53) F2PRSS1PRSS2PRSS3CA1
SCHEMBL3468509 0.77 F2 (0.46) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7375221 0.76 F2 (0.42) F2PRSS1PRSS2PRSS3CA1
SCHEMBL6121500 0.76 CA1 (0.48) F2PRSS1PRSS2PRSS3CA1
SCHEMBL20310 0.75 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL28525080 0.75 MAPT (0.44) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2678329 0.74 CA1 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14736112 0.74 MAPT (0.54) F2PRSS1PRSS2PRSS3CA1
Hydrochloric Acid SCHEMBL28479231 0.74 F2 (0.49) F2PRSS1PRSS2PRSS3CA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118339149-A Compounds and compositions for treating conditions associated with LPA receptor activity 罗特斯生物公司 2024-07-12 CN disclosed
CN-115803327-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2023-03-14 CN disclosed
CN-114901279-A Inhibitors of cGAS for the treatment of autoinflammatory diseases and cancer metastasis 洛克菲勒大学 2022-08-12 CN disclosed
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 CN disclosed
CN-113166153-A Fused pyrazine derivatives as A2A/A2B inhibitors 因赛特公司 2021-07-23 CN disclosed
WO-2021042890-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF AS TRK KINASE INHIBITOR 罗欣药业(上海)有限公司 2021-03-11 WO disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed
EP-3644991-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed