SCHEMBL263537

SCHEMBL263537

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.46
NTMT1 Q9BV86 2/20 0.46
F2 P00734 11/20 0.41
PRSS1 P07477 9/20 0.41
PRSS2 P07478 9/20 0.41
PRSS3 P35030 9/20 0.41
SSTR3 P32745 1/20 0.40
TACR1 P25103 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
KLKB1 P03952 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL29427848 1.00 PDF (0.46) PDFNTMT1F2PRSS1PRSS2
Acetic Acid SCHEMBL16234756 0.98 PDF (0.44) PDFNTMT1F2PRSS1PRSS2
SCHEMBL1100531 0.90 PDF (0.49) PDFNTMT1F2SSTR3TACR1
SCHEMBL1498278 0.90 F2 (0.42) NTMT1F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL29388894 0.90 ITGB1 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11528157 0.89 F2 (0.42) NTMT1F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL3507728 0.88 F2 (0.41) F2PRSS1PRSS2PRSS3TACR1
SCHEMBL5582769 0.85 NTMT1 (0.53) PDFNTMT1F2SSTR3TACR1
SCHEMBL3239444 0.85 F2 (0.46) NTMT1F2PRSS1PRSS2PRSS3
SCHEMBL11417445 0.85 NTMT1 (0.55) PDFNTMT1F2SSTR3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589139-B2 Clostridial neurotoxins comprising an exogenous activation loop IPSEN BIOPHARM LIMITED (GB) 2026-03-31 US disclosed
EP-4326869-A1 RECOMBINANT MIROPIN University of Louisville (US) 2024-02-28 EP disclosed
US-20240051991-A1 Recombinant Miropin UNIV OF LOUISVILLE (US) 2024-02-15 US disclosed
WO-2022226451-A1 RECOMBINANT MIROPIN UNIVERSITY OF LOUISVILLE (US) 2022-10-27 WO disclosed
US-20220211823-A1 Clostridial Neurotoxins Comprising an Exogenous Activation Loop IPSEN BIOPHARM LIMITED (GB) 2022-07-07 US disclosed
WO-2018146171-A1 METHODS FOR TREATING MAST CELL ACTIVATION DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2018-08-16 WO disclosed
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 US disclosed
US-8133485-B2 Immunoglobulin specifi for mast cell immunoglobulin receptor (IRp60) for use in treatment and prevention of allergic disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2012-03-13 US disclosed
EP-1730194-B1 BI-SPECIFIC ANTIBODIES FOR TARGETING CELLS INVOLVED IN ALLERGIC-TYPE REACTIONS, COMPOSITIONS AND USES THEREOF YISSUM RES DEV CO (IL) 2011-11-02 EP disclosed
US-7897364-B2 Method for determining inhibitors of neurotrypsin UNIVERSITY OF ZURICH (CH) 2011-03-01 US disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed
US-5427931-A Useful in the treatment and detection of Alzheimer's disease THEN REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-27 US disclosed
US-5411978-A Aging resistance, human skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-05-02 US disclosed
US-5338747-A Benzoisothiazolinone-1-dioxide derivatives as elastase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1994-08-16 US disclosed
US-5314815-A Method for temporarily inhibiting or deactivating serine hydrolase and adduct of serine hydrolase with a phosphonate or phosphate compound THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-05-24 US disclosed
EP-0527823-A4 1994-04-06 EP disclosed
US-5281523-A Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-01-25 US disclosed
US-5270165-A Diagnosing Alzheimer's disease THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-12-14 US disclosed
EP-0527823-A1 PURIFICATION, DETECTION AND METHODS OF USE OF PROTEASE NEXIN-2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-24 EP disclosed
EP-0446047-A1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1991-09-11 EP 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-12589139-B2 Clostridial neurotoxins comprising an exogenous activation loop PDXK, VIP, F13B PDF 335/4885NTMT1 1622/4885F2 141/4885

“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.