SCHEMBL10104871

SCHEMBL10104871

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
AAK1 Q2M2I8 4/20 0.32
IDO1 P14902 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
NTSR1 P30989 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10104896 0.95 S1PR1 (0.34) S1PR1AAK1IDO1SLC13A5MAPT
SCHEMBL10104873 0.92 S1PR1 (0.32) S1PR1AAK1IDO1
SCHEMBL2130043 0.90 PPARG (0.33) MAPTNTSR1ALDH1A1MEN1KMT2A
SCHEMBL2130049 0.90 PPARG (0.33) MAPTNTSR1ALDH1A1MEN1KMT2A
SCHEMBL10104771 0.88 S1PR1 (0.33) S1PR1AAK1IDO1SLC13A5MAPT
SCHEMBL10104900 0.87 S1PR1 (0.32) S1PR1AAK1IDO1ALDH1A1MEN1
SCHEMBL10104774 0.87 S1PR1 (0.33) S1PR1AAK1IDO1ALDH1A1MEN1
SCHEMBL10104899 0.86 IDO1 (0.35) S1PR1AAK1IDO1GAAMAPT
SCHEMBL2128055 0.85 MAPT (0.33) IDO1GAAMAPTALDH1A1TSHR
SCHEMBL2128049 0.85 MAPT (0.33) IDO1GAAMAPTALDH1A1TSHR

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.