SCHEMBL157669

SCHEMBL157669

Cc1ccc(S(=O)(=O)OCC(CCl)O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
DHODH Q02127 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
APLNR P35414 3/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL18029887 0.87 ALDH1A1 (0.36) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL15237657 0.87 ALDH1A1 (0.36) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL12083823 0.85 DHODH (0.35) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL21329586 0.83 MEN1 (0.39) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL21329582 0.83 MEN1 (0.39) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL21330105 0.83 MEN1 (0.39) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL12083730 0.82 STAT3 (0.37) STAT3KMT2AMEN1ALDH1A1CTDSP1
SCHEMBL32668779 0.81 CA1 (0.33) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL32668704 0.81 CA1 (0.33) STAT3KMT2AMEN1ALDH1A1CA1
SCHEMBL17662650 0.81 MEN1 (0.32) STAT3KMT2AMEN1ALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
EP-2611805-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT Takeda Pharmaceutical Company Limited (JP) 2013-07-10 EP disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
WO-2012029991-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 WO 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP STAT3 2102/4885KMT2A 2224/4885MEN1 2977/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP STAT3 614/4885KMT2A 3067/4885MEN1 725/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP STAT3 614/4885KMT2A 3067/4885MEN1 725/4885

“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.