SCHEMBL10104896

SCHEMBL10104896

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
AAK1 Q2M2I8 7/20 0.33
IDO1 P14902 2/20 0.33
SLC13A5 Q86YT5 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL10104871 0.95 S1PR1 (0.33) S1PR1AAK1IDO1SLC13A5MAPT
SCHEMBL10104900 0.92 S1PR1 (0.32) S1PR1AAK1IDO1KDM4EMEN1
SCHEMBL10104774 0.92 S1PR1 (0.33) S1PR1AAK1IDO1KDM4EMEN1
SCHEMBL10104899 0.91 IDO1 (0.35) S1PR1AAK1IDO1MAPTTP53
SCHEMBL10104771 0.90 S1PR1 (0.33) S1PR1AAK1IDO1SLC13A5MAPT
SCHEMBL2128055 0.90 MAPT (0.33) IDO1MAPTKDM4EMEN1ALDH1A1
SCHEMBL2128049 0.90 MAPT (0.33) IDO1MAPTKDM4EMEN1ALDH1A1
SCHEMBL10104873 0.87 S1PR1 (0.32) S1PR1AAK1IDO1
SCHEMBL2130049 0.85 PPARG (0.33) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL2130043 0.85 PPARG (0.33) MAPTKDM4EMEN1ALDH1A1HPGD

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.