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Sugi Predict / Compounds / SCHEMBL2128182

SCHEMBL2128182

SCHEMBL2128182

COc1ccc(O)c(Sc2ccc(CC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.37
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AAK1 Q2M2I8 3/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAOB P27338 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
SCHEMBL2128187 1.00 IDO1 (0.37) IDO1TP53LMNARXFP1AAK1
SCHEMBL2128559 0.91 IDO1 (0.36) IDO1TP53LMNAAAK1S1PR1
SCHEMBL2129818 0.91 AAK1 (0.36) IDO1TP53AAK1S1PR1ALDH1A1
SCHEMBL2129808 0.91 AAK1 (0.36) IDO1TP53AAK1S1PR1ALDH1A1
SCHEMBL2128553 0.91 IDO1 (0.36) IDO1TP53LMNAAAK1S1PR1
SCHEMBL10104827 0.89 IDO1 (0.38) IDO1TP53LMNAAAK1S1PR1
SCHEMBL2130668 0.89 IDO1 (0.35) IDO1TP53LMNAAAK1S1PR1
SCHEMBL2130673 0.89 IDO1 (0.35) IDO1TP53LMNAAAK1S1PR1
SCHEMBL2131457 0.89 S1PR1 (0.34) IDO1TP53LMNARXFP1AAK1
SCHEMBL3699336 0.89 S1PR1 (0.34) IDO1TP53LMNARXFP1AAK1

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 IDO1 814/4885TP53 4752/4885LMNA 4473/4885

“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.