SCHEMBL2129594

SCHEMBL2129594

CC(C)(C)OC(=O)N[C@](C)(CO)CCc1ccc(Sc2cc(C(F)(F)F)ccc2OC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.34
IDO1 P14902 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.31
CCR2 P41597 2/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL2129602 1.00 AAK1 (0.34) AAK1IDO1PTGDR2MRGPRX4CCR2
SCHEMBL2127632 0.90 IDO1 (0.40) AAK1IDO1S1PR1
SCHEMBL2127642 0.90 IDO1 (0.40) AAK1IDO1S1PR1
SCHEMBL2131294 0.90 PTGDR2 (0.32) IDO1PTGDR2MRGPRX4
SCHEMBL2131300 0.90 PTGDR2 (0.32) IDO1PTGDR2MRGPRX4
SCHEMBL10104770 0.89 AAK1 (0.36) AAK1IDO1S1PR1
SCHEMBL2133537 0.89 IDO1 (0.36) AAK1IDO1PTGDR2CCR2S1PR1
SCHEMBL2133547 0.89 IDO1 (0.36) AAK1IDO1PTGDR2CCR2S1PR1
SCHEMBL2129459 0.89 AAK1 (0.33) AAK1S1PR1
SCHEMBL2129463 0.89 AAK1 (0.33) AAK1S1PR1

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 5 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
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 AAK1 3218/4885IDO1 814/4885PTGDR2 75/4885

“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.