SCHEMBL5353078

SCHEMBL5353078

Cc1ccc(S(=O)(=O)ONNC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
PTPN7 P35236 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 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
SCHEMBL5873308 0.86 CA2 (0.44) KMT2ALMNAPOLBCA1CA2
SCHEMBL11794766 0.84 F2 (0.49) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL973720 0.79 CA1 (0.47) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL16897446 0.77 PKM (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL9247417 0.76 MAPT (0.48) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL3179301 0.76 F2 (0.49) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL1551682 0.75 F2 (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL8861762 0.74 ALDH1A1 (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL3836056 0.74 ALDH1A1 (0.58) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL29278756 0.74 GAA (0.52) F2PRSS1PRSS2PRSS3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109171092-B Elastomer shoe and shoe making process thereof 中国科学院化学研究所 2021-02-26 CN claimed
CN-109171092-A A kind of elastic body shoe and its shoe-making process 中国科学院化学研究所 2019-01-11 CN claimed
CN-109171092-B Elastomer shoe and shoe making process thereof 中国科学院化学研究所 2021-02-26 CN disclosed
CN-110819144-A Low-temperature fast-curing solvent-free fireproof coating and preparation method thereof 江苏朝晖化工有限公司 2020-02-21 CN disclosed
CN-109171092-A A kind of elastic body shoe and its shoe-making process 中国科学院化学研究所 2019-01-11 CN disclosed
US-7235671-B2 Process for preparing 3-chloromethyl-1,2,4-triazolin-5-one MERCK & CO. INC. (US) 2007-06-26 US disclosed
US-20060052355-A1 reacting a chloro contaiing triaryl- or trialkyl-orthoester with a sulfonic acid salt of semicarbazide in an organic solvent, adding a brine solution to the concentrated reaction mixture,cooling the mixture to form a solid product, acidification with aqueous acid MERCK SHARP & DOHME CORP. 2006-03-09 US disclosed
US-6991659-B2 Production of tanned leather and products suitable therefore CLARIANT FINANCE (BVI) LIMITED (VG) 2006-01-31 US disclosed
EP-1549623-A4 PROCESS FOR PREPARING 3-CHLOROMETHYL-1,2,4-TRIAZOLIN-5-ONE MERCK & CO INC (US) 2005-10-05 EP disclosed
EP-1549623-A2 PROCESS FOR PREPARING 3-CHLOROMETHYL-1,2,4-TRIAZOLIN-5-ONE Merck & Co., Inc. (US) 2005-07-06 EP disclosed
US-20040074009-A1 Production of tanned leather and products suitable therefore CLARIANT FINANCE (BVI) LIMITED (VG) 2004-04-22 US disclosed
WO-2004017898-A2 PROCESS FOR PREPARING 3-CHLOROMETHYL-1,2,4-TRIAZOLIN-5-ONE MERCK & CO., INC. (US) 2004-03-04 WO disclosed
EP-1362128-A1 PRODUCTION OF TANNED LEATHER AND PRODUCTS SUITABLE THEREFORE Clariant Finance (BVI) Limited (VG) 2003-11-19 EP disclosed
WO-2002059382-A1 PRODUCTION OF TANNED LEATHER AND PRODUCTS SUITABLE THEREFORE CLARIANT INTERNATIONAL LTD (CH) 2002-08-01 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 (1 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-20060052355-A1 reacting a chloro contaiing triaryl- or trialkyl-orthoester with a sulfonic acid salt of semicarbazide in an organic solvent, adding a brine solution to the concentrated reaction mixture,cooling the mixture to form a solid product, acidification with aqueous acid CLIC1, CTRC, NISCH F2 4061/4885PRSS1 200/4885PRSS2 453/4885

“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.