Sugi Predict

Sugi Predict / Compounds / SCHEMBL2129808

SCHEMBL2129808

SCHEMBL2129808

CC(C)Oc1ccc(O)c(Sc2ccc(CC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 13/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ S1PR1 P21453 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 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
SCHEMBL2129818 1.00 AAK1 (0.36) AAK1IDO1S1PR1EPHX2NR1H4
SCHEMBL2128182 0.91 IDO1 (0.37) AAK1IDO1S1PR1SMN1; SMN2KDM4E
SCHEMBL2128187 0.91 IDO1 (0.37) AAK1IDO1S1PR1SMN1; SMN2KDM4E
SCHEMBL15354702 0.90 AAK1 (0.35) AAK1IDO1SMN1; SMN2TP53
SCHEMBL2128559 0.90 IDO1 (0.36) AAK1IDO1S1PR1EPHX2NR1H4
SCHEMBL2128553 0.90 IDO1 (0.36) AAK1IDO1S1PR1EPHX2NR1H4
SCHEMBL2130036 0.88 AAK1 (0.34) AAK1IDO1S1PR1EPHX2NR1H4
SCHEMBL2130026 0.88 AAK1 (0.34) AAK1IDO1S1PR1EPHX2NR1H4
SCHEMBL10104827 0.88 IDO1 (0.38) AAK1IDO1S1PR1SMN1; SMN2KDM4E
SCHEMBL2130668 0.87 IDO1 (0.35) AAK1IDO1S1PR1SMN1; SMN2KDM4E

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 AAK1 3218/4885IDO1 814/4885S1PR1 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.