SCHEMBL16440002

SCHEMBL16440002

CS(=O)(=O)c1[c]c(Cl)ccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3057707 0.84 KEAP1 (0.40) KEAP1NFE2L2PTGS2
SCHEMBL29131036 0.77 PTPN1 (0.32)
SCHEMBL16440019 0.74 KEAP1 (0.38) KEAP1NFE2L2
SCHEMBL5187074 0.74 KEAP1 (0.34) KEAP1NFE2L2PTGS2
SCHEMBL9118988 0.74 PTGS2 (0.45) PTGS2PTGS1ALDH1A1
SCHEMBL29245825 0.69 DRD1 (0.32) KEAP1NFE2L2
SCHEMBL5030910 0.69 PTGS2 (0.40) KEAP1PTGS2PTGS1ALDH1A1
SCHEMBL4299 0.69
SCHEMBL6930665 0.69 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL4928374 0.68

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
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
EP-2878594-B1 DIFLUOROMETHYLENE COMPOUND SATO PHARMA (JP) 2018-11-28 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
US-9512119-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-12-06 US disclosed
US-9353046-B2 Method for producing alkylated aromatic amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-05-31 US disclosed
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-09 US disclosed
EP-2878594-A1 DIFLUOROMETHYLENE COMPOUND Sato Pharmaceutical Co., Ltd. (JP) 2015-06-03 EP disclosed
US-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2015-03-05 US disclosed
EP-2835366-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2015-02-11 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 (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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 KEAP1 367/4885NFE2L2 480/4885PTGS2 3790/4885
US-20150191463-A1 DIFLUOROMETHYLENE COMPOUND XDH, SULT1A1, RFT1 KEAP1 446/4885NFE2L2 560/4885PTGS2 3781/4885
US-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE NAT1, HAX1, AOC2 KEAP1 1322/4885NFE2L2 896/4885PTGS2 3888/4885

“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.