SCHEMBL10458162

SCHEMBL10458162

C[C](C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
GAA P10253 2/20 0.45
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL4727494 0.87 STAT3 (0.56) STAT3CTDSP1SIRT5GAAPKM
Water SCHEMBL2978476 0.85 STAT3 (0.55) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL5870519 0.85 STAT3 (0.51) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL7342597 0.85 STAT3 (0.57) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL5741905 0.84 STAT3 (0.50) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL5741906 0.84 STAT3 (0.50) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL1994912 0.83 STAT3 (0.60) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL3135862 0.83 STAT3 (0.52) STAT3CTDSP1SIRT5GAAALDH1A1
SCHEMBL11141677 0.83 MEN1 (0.49) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL11136704 0.82 POLB (0.46) STAT3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-8772200-B2 Nitrogen-containing heterocyclic compound and agricultural fungicide NIPPON SODA CO., LTD. (JP) 2014-07-08 US disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
US-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2012-11-15 US disclosed
EP-2522658-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE Nippon Soda Co., Ltd. (JP) 2012-11-14 EP disclosed
US-4911750-A Mixture of a 1,2,4-triazole and phosphorus compound BAYER AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
US-4749405-A 1-vinyltriazole compounds and plant growth and fungicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-06-07 US disclosed
US-4743293-A 1-vinyltraiazole compounds and plant growth and fungicidal composition BAYER AKTIENGESELLSCHAFT (DE) 1988-05-10 US disclosed
US-4647302-A 1-Vinyltriazole compounds and plant growth and fungicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
US-4486218-A 1-Vinyltriazole compounds and plant growth and fungicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
US-4452625-A 1,2,4-TETRAZOLE COMPOUND WITH A CYCLOPROPANE CARBOXY COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
EP-0016323-B1 1-ALLYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS BAYER AG (DE) 1982-09-29 EP disclosed
US-4315764-A FUNGICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1982-02-16 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 (2 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-20120289702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE CBR3, CBR1, NOX3 STAT3 4215/4885CTDSP1 4291/4885SIRT5 2984/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 STAT3 4504/4885CTDSP1 4342/4885SIRT5 2608/4885

“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.