SCHEMBL10104842

SCHEMBL10104842

COCOc1ccc(C)cc1Sc1ccc(CC[C@@](C)(C=O)NC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 14/20 0.33
IDO1 P14902 2/20 0.33
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL2128839 0.90 MRGPRX4 (0.33) AAK1IDO1ALDH1A1MAPT
SCHEMBL2128848 0.90 MRGPRX4 (0.33) AAK1IDO1ALDH1A1MAPT
SCHEMBL10104845 0.90 S1PR1 (0.32) AAK1IDO1S1PR1
SCHEMBL10104902 0.89 AAK1 (0.31) AAK1IDO1
SCHEMBL2129421 0.88 AAK1 (0.37) AAK1IDO1S1PR1
SCHEMBL2129427 0.88 AAK1 (0.37) AAK1IDO1S1PR1
SCHEMBL10104900 0.85 S1PR1 (0.32) AAK1IDO1ALDH1A1S1PR1
SCHEMBL15293436 0.84 S1PR1 (0.31) AAK1IDO1S1PR1
SCHEMBL10104848 0.83 AAK1 (0.34) AAK1IDO1S1PR1
SCHEMBL2130272 0.83 AAK1 (0.35) 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 2 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
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 814/4885JAK2 780/4885

“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.