SCHEMBL626506

SCHEMBL626506

C=CCN(C(=O)c1cc(Cl)sn1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
RAB9A P51151 2/20 0.38
ESR1 P03372 1/20 0.38
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
C5AR1 P21730 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL10738637 0.77 HSD11B1 (0.46) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11435522 0.77 S1PR1 (0.53) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11435835 0.76 ESR1 (0.44) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11442731 0.76 HSD11B1 (0.63) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11435841 0.75 HSD11B1 (0.52) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11437067 0.75 CYP1A2 (0.43) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11442727 0.75 HSD11B1 (0.50) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL10745485 0.74 HSD11B1 (0.43) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11435843 0.74 S1PR1 (0.44) S1PR1RAB9AESR1HSD11B1KMT2A
SCHEMBL11440787 0.74 FLT1 (0.48) S1PR1RAB9AESR1HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138033-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES MICROBION CORPORATION 2020-05-07 US disclosed
US-20170150724-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES MICROBION CORP (US) 2017-06-01 US disclosed
US-9408393-B2 Bismuth-thiols as antiseptics for agricultural, industrial and other uses MICROBION CORPORATION (US) 2016-08-09 US disclosed
US-20130224258-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES MICROBION CORPORATION (US) 2013-08-29 US disclosed
EP-2603083-A2 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES Microbion Corporation (US) 2013-06-19 EP disclosed
WO-2012021754-A2 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES MICROBION CORPORATION (US) 2012-02-16 WO disclosed
EP-0302451-B1 N-ALKYLBENZENESULFONYLCARBAMOYL-5-CHLOROISOTHIAZOLE DERIVATIVES AND MICROBICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-06-10 EP disclosed
EP-0302451-B1 N-ALKYLBENZENESULFONYLCARBAMOYL-5-CHLOROISOTHIAZOLE DERIVATIVES AND MICROBICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-06-10 EP disclosed
US-5045555-A N-alkylbenzenesulfonylcarbamoyl-5-chloroisothiazole derivatives and microbicides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-09-03 US disclosed
US-5045555-A N-alkylbenzenesulfonylcarbamoyl-5-chloroisothiazole derivatives and microbicides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-09-03 US disclosed
EP-0302451-A1 N-alkylbenzenesulfonylcarbamoyl-5-chloroisothiazole derivatives and microbicides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1989-02-08 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 (3 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-20170150724-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES TST, BTD, BTF3 S1PR1 4611/4885RAB9A 3290/4885ESR1 3801/4885
US-20200138033-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES TST, BTD, BTF3 S1PR1 4611/4885RAB9A 3290/4885ESR1 3801/4885
US-20130224258-A1 BISMUTH-THIOLS AS ANTISEPTICS FOR AGRICULTURAL, INDUSTRIAL AND OTHER USES TST, BTD, BTF3 S1PR1 4611/4885RAB9A 3290/4885ESR1 3801/4885

“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.