SCHEMBL2132239

SCHEMBL2132239

CC(C)(C)[Si](C)(C)Oc1ccc(O)c(S)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA9 Q16790 4/20 0.45
PREP P48147 4/20 0.37
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ERN1 O75460 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9363061 0.81 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL5517481 0.81 CA12 (0.46) CA12CA1CA9PREPERN1
SCHEMBL30490014 0.79 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL16071166 0.79 CA12 (0.45) CA12CA1CA9PREPHSP90AA1
SCHEMBL14697028 0.77 ERN1 (0.60) CA12CA1CA9ERN1
SCHEMBL31587586 0.77 ERN1 (0.60) CA12CA1CA9ERN1
SCHEMBL21552157 0.76 CA12 (0.45) CA12CA1CA9PREPHSP90AA1
SCHEMBL7143162 0.76 CA9 (0.45) CA12CA1CA9PREP
SCHEMBL16135178 0.75 TUBB4A (0.49) CA12CA1CA9PREPALDH1A1
SCHEMBL6763899 0.74 PREP (0.53) CA12CA1CA9PREPHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657241-B1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2017-07-12 EP disclosed
US-8993543-B2 Diphenyl sulfide derivative and pharmaceutical product which contains same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
EP-2657241-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2013-10-30 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-03 US disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 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-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 CA12 4703/4885CA1 4487/4885CA9 4627/4885
US-20130261089-A1 DIPHENYL SULFIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT WHICH CONTAINS SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 CA12 4691/4885CA1 4477/4885CA9 4299/4885

“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.