SCHEMBL2129105

SCHEMBL2129105

CCOc1ccc(O)c(Sc2ccc(CC[C@](C)(N)COP(=O)(O)O)c(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.49
S1PR3 Q99500 8/20 0.43
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL2128092 0.91 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5
SCHEMBL15284461 0.90 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL2130223 0.89 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2128151 0.89 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2132076 0.89 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27854198 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5HSP90AA1
SCHEMBL2129763 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5HSP90AA1
SCHEMBL2131534 0.88 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27870802 0.88 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2128875 0.87 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5

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
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
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

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 1/4885S1PR4 5/4885

“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.