SCHEMBL6097587

SCHEMBL6097587

CCCS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.48
HCRTR2 O43614 1/20 0.46
HSD11B1 P28845 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PGR P06401 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.44
PKM P14618 1/20 0.43
FBP1 P09467 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
SCHEMBL12959609 0.86 PSIP1 (0.56) HCRTR2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30487713 0.86 PSIP1 (0.56) HCRTR2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22615661 0.81 PTGDR2 (0.49) PTGDR2HCRTR2CYP1A2CYP3A4CYP2D6
SCHEMBL4253122 0.80 FBP1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL3510826 0.80 SOD1 (0.44) PTGDR2CYP1A2CYP2C19LMNA
SCHEMBL6098155 0.79 KMT2A (0.58) HCRTR2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL16573994 0.79 PTGDR2 (0.43) PTGDR2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11331630 0.78 HSD17B1 (0.47) PTGDR2CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL3024800 0.78 LMNA (0.57) LMNATDP1ALDH1A1PKM
SCHEMBL263686 0.78 ATM (0.46) CYP1A2CYP3A4CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 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-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
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US disclosed
US-5965743-A AS ANTIHYPERLIPEMIC AGENT; THERAPEUTIC AND PREVENTIVE DRUGS FOR ARTERIOSCLEROSIS NIPPON SODA CO., LTD. (JP) 1999-10-12 US disclosed
EP-0757988-A1 IMIDAZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1997-02-12 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 (5 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A PTGDR2 362/4885HCRTR2 22/4885HSD11B1 767/4885
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO PTGDR2 724/4885HCRTR2 2970/4885HSD11B1 3510/4885
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB PTGDR2 725/4885HCRTR2 304/4885HSD11B1 198/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PTGDR2 4569/4885HCRTR2 576/4885HSD11B1 130/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT PTGDR2 4569/4885HCRTR2 576/4885HSD11B1 130/4885

“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.