SCHEMBL829186

SCHEMBL829186

O=C(NC1CCCCC1)C1=CS(=O)(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CNR1 P21554 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL516891 0.72 ALDH1A1 (0.82) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1187427 0.69 NPC1 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30565736 0.69 NPC1 (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10955095 0.69 PTGS1 (0.56) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL23594174 0.69 NPC1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8396558 0.69 NPC1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5168314 0.69 NPC1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL24673320 0.69 NPC1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL307051 0.69 NPC1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30666379 0.68 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10798940-B2 Penflufen polymer particles LANXESS DEUTSCHLAND GMBH (DE) 2020-10-13 US disclosed
US-20180242588-A1 BIOCIDAL MIXTURES LANXESS DEUTSCHLAND GMBH (DE) 2018-08-30 US disclosed
US-20180235222-A1 PENFLUFEN POLYMER PARTICLES LANXESS DEUTSCHLAND GMBH (DE) 2018-08-23 US disclosed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US disclosed
US-20150322318-A1 FUNGICIDE SILICON SEALING COMPOUND LANXESS DEUTSCHLAND GMBH (DE) 2015-11-12 US disclosed
US-8143275-B2 Use of triazolopyrimidine derivatives as microbicides LANXESS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES LANXESS DEUTSCHLAND GMBH (DE) 2011-04-28 US disclosed
US-7888371-B2 For protecting engineered wood, timber, or plastic from phytopathogenic fungi LANXESS DEUTSCHLAND GMBH (DE) 2011-02-15 US disclosed
US-20100297204-A1 PARTICULATE POLYMERS COMPRISING BIOCIDAL ACTIVE SUBSTANCE LANXESS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-20100152287-A1 DISPERSIONS CONTAINING IODOPROPARGYL COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-06-17 US disclosed
US-7084137-B2 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-6835842-B2 Microbiocides; bactericides BAYER AKTIENGESELLSCHAFT (DE) 2004-12-28 US disclosed
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials LANXESS DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials LANXESS DEUTSCHLAND GMBH (DE) 2003-11-06 US disclosed
US-6638958-B2 3-nitroisoxazoles and their use in the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2003-09-04 US disclosed
US-20030129081-A1 Thiazines and thiazoles as agents for protecting materials BAYER AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
US-6531496-B1 Pesticides in crop protection BAYER AKTIENGESELLSCHAFT (DE) 2003-03-11 US disclosed
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides LANXESS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material BAYER AKTIENGESELLSCHAFT (DE) 2002-10-17 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-20030129081-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 ALDH1A1 40/4885MEN1 97/4885KMT2A 4152/4885
US-20040204405-A1 Thiazines and thiazoles as agents for protecting materials POT1, NAT1, GPX1 ALDH1A1 40/4885MEN1 97/4885KMT2A 4152/4885
US-20100297204-A1 PARTICULATE POLYMERS COMPRISING BIOCIDAL ACTIVE SUBSTANCE CD68, PRF1, MMP7 ALDH1A1 1440/4885MEN1 4486/4885KMT2A 4606/4885
US-20110098279-A1 USE OF TRIAZOLOPYRIMIDINE DERIVATIVES AS MICROBICIDES ARG2, MSR1, TK2 ALDH1A1 451/4885MEN1 2916/4885KMT2A 3734/4885
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material TST, STS, SULT1E1 ALDH1A1 203/4885MEN1 1161/4885KMT2A 4531/4885
US-20180242588-A1 BIOCIDAL MIXTURES PUF60, BTF3, AOC3 ALDH1A1 17/4885MEN1 2877/4885KMT2A 2934/4885
US-10798940-B2 Penflufen polymer particles FAP, PUF60, MATR3 ALDH1A1 194/4885MEN1 3694/4885KMT2A 2244/4885
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS GPX1, NOX1, XDH ALDH1A1 99/4885MEN1 1505/4885KMT2A 3492/4885
US-20180235222-A1 PENFLUFEN POLYMER PARTICLES FAP, PUF60, MATR3 ALDH1A1 194/4885MEN1 3694/4885KMT2A 2244/4885
US-20020198222-A1 Use of triazolopyrimidine derivatives as microbicides MSR1, FPR1, TK1 ALDH1A1 153/4885MEN1 2261/4885KMT2A 4329/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH ALDH1A1 99/4885MEN1 1505/4885KMT2A 3492/4885
US-20100152287-A1 DISPERSIONS CONTAINING IODOPROPARGYL COMPOUNDS ELANE, TPO, SERPINB10 ALDH1A1 1286/4885MEN1 414/4885KMT2A 4613/4885

“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.