SCHEMBL2128103

SCHEMBL2128103

CC(C)Oc1ccc(O)c(S)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.46
PARP10 Q53GL7 1/20 0.44
POLB P06746 1/20 0.42
GLA P06280 1/20 0.41
PDK2 Q15119 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
PNLIP P16233 1/20 0.39
ALDH1A3 P47895 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL8208073 0.84 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL1052924 0.81 ALDH1A1 (0.52) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL28161679 0.79 ALDH1A1 (0.50) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL3720563 0.78 ALDH1A1 (0.48) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL9647072 0.78 PARP10 (0.50) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL339527 0.77 ALDH1A1 (0.52) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL149384 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL13095594 0.76 ALDH1A1 (0.60) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL3717795 0.76 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA
SCHEMBL3537796 0.76 ALDH1A1 (0.47) ALDH1A1KMT2APARP10POLBGLA

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
CN-102471355-B Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN PHARMACEUTICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 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-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
CN-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN 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
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
WO-2011004604-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-01-13 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 (1 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 ALDH1A1 1665/4885KMT2A 3542/4885PARP10 1966/4885

“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.