SCHEMBL10104771

SCHEMBL10104771

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
AAK1 Q2M2I8 4/20 0.32
IDO1 P14902 2/20 0.32
SLC13A5 Q86YT5 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL15293436 0.92 S1PR1 (0.31) S1PR1AAK1IDO1
SCHEMBL15293433 0.92 S1PR1 (0.32) S1PR1IDO1
SCHEMBL10104772 0.91 IDO1 (0.34) S1PR1AAK1IDO1TP53MAPT
SCHEMBL2130018 0.90 MAPT (0.33) IDO1MAPT
SCHEMBL2130009 0.90 MAPT (0.33) IDO1MAPT
SCHEMBL10104896 0.90 S1PR1 (0.34) S1PR1AAK1IDO1SLC13A5TP53
SCHEMBL10104871 0.88 S1PR1 (0.33) S1PR1AAK1IDO1SLC13A5TP53
SCHEMBL15284914 0.85 BACE1 (0.30) IDO1
SCHEMBL15284909 0.85 BACE1 (0.30) IDO1
SCHEMBL19114258 0.84 IDO1 (0.34) S1PR1IDO1MAPT

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

“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.