SCHEMBL2129779

SCHEMBL2129779

CC(C)c1ccc(O)c(Sc2ccc(CCC(C)(N)COP(=O)(O)O)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.46
S1PR3 Q99500 10/20 0.40
S1PR5 Q9H228 3/20 0.36
S1PR4 O95977 2/20 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
SCHEMBL2130370 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129763 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27854198 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2130070 0.89 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2129701 0.89 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2128875 0.88 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2132076 0.88 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128092 0.86 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2131534 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27870802 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP claimed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US claimed
CN-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN claimed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP claimed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US claimed
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
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

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 S1PR1 2/4885S1PR3 1/4885S1PR5 4/4885

“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.