SCHEMBL2128559

SCHEMBL2128559

CCOc1ccc(O)c(Sc2ccc(CCC(C)(CO)NC(=O)OC(C)(C)C)c(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
AAK1 Q2M2I8 8/20 0.35
S1PR1 P21453 2/20 0.34
ANO1 Q5XXA6 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
FADS1 O60427 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL2128553 1.00 IDO1 (0.36) IDO1AAK1S1PR1ANO1KDM4E
SCHEMBL2128182 0.91 IDO1 (0.37) IDO1AAK1S1PR1ANO1KDM4E
SCHEMBL2128187 0.91 IDO1 (0.37) IDO1AAK1S1PR1ANO1KDM4E
SCHEMBL15284393 0.90 IDO1 (0.34) IDO1S1PR1ANO1KDM4EHTT
SCHEMBL15284392 0.90 IDO1 (0.34) IDO1S1PR1ANO1KDM4EHTT
SCHEMBL2129808 0.90 AAK1 (0.36) IDO1AAK1S1PR1KDM4EHTT
SCHEMBL2129818 0.90 AAK1 (0.36) IDO1AAK1S1PR1KDM4EHTT
SCHEMBL2132922 0.89 S1PR1 (0.47) IDO1AAK1S1PR1SMN1; SMN2MEN1
SCHEMBL2132910 0.89 S1PR1 (0.47) IDO1AAK1S1PR1SMN1; SMN2MEN1
SCHEMBL2131448 0.88 S1PR1 (0.34) IDO1AAK1S1PR1ANO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 IDO1 814/4885AAK1 3218/4885S1PR1 2/4885

“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.