SCHEMBL5320699

SCHEMBL5320699

CCC[S+]([O-])Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CES2 O00748 5/20 0.35
CES1 P23141 5/20 0.35
CALM1 P0DP23 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DNM1 Q05193 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
SCHEMBL17104769 0.88 TP53 (0.39) TP53CES2CES1SIGMAR1SMN1; SMN2
SCHEMBL6503361 0.86 CALM1 (0.41) TP53SLC6A2TAAR1CES2CES1
SCHEMBL11223470 0.84 DNM1 (0.43) TP53CES2CES1SIGMAR1SMN1; SMN2
SCHEMBL9245737 0.84 DNM1 (0.43) TP53CES2CES1SIGMAR1SMN1; SMN2
SCHEMBL5074191 0.84 DNM1 (0.43) TP53CES2CES1SIGMAR1SMN1; SMN2
SCHEMBL777260 0.82 TP53 (0.46) TP53SLC6A2TAAR1CES2CES1
Ethane SCHEMBL7199050 0.81 TP53 (0.43) TP53SLC6A2TAAR1CES2CES1
Benzene SCHEMBL11030926 0.81 CALM1 (0.45) TP53SLC6A2TAAR1CES2CES1
SCHEMBL340372 0.81 CALM1 (0.45) TP53SLC6A2TAAR1CES2CES1
SCHEMBL22897436 0.81 IDO1 (0.38) TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758688-B2 Composition for forming conductive film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20150275015-A1 COMPOSITION FOR FORMING CONDUCTIVE FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-01 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 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 (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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO TP53 2119/4885SLC6A2 4188/4885TAAR1 1754/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT TP53 4483/4885SLC6A2 4041/4885TAAR1 2638/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT TP53 4483/4885SLC6A2 4041/4885TAAR1 2638/4885

“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.