SCHEMBL2129763

SCHEMBL2129763

C[C@](N)(CCc1ccc(Sc2cc(Cl)ccc2O)cc1Cl)COP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.49
S1PR3 Q99500 8/20 0.39
S1PR5 Q9H228 3/20 0.38
S1PR4 O95977 2/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GGPS1 O95749 1/20 0.33

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
SCHEMBL27854198 1.00 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4MEN1
SCHEMBL2128875 0.91 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27870802 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128092 0.90 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2131534 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL27854187 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129980 0.89 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2128272 0.89 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2129779 0.89 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2131495 0.89 S1PR1 (0.46) 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 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 1/4885S1PR5 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.