SCHEMBL2128956

SCHEMBL2128956

COP(=O)(OC)OCC(C)(CCc1ccc(Sc2cc(Cl)ccc2OC(=O)OC(C)(C)C)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 10/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 3/20 0.32

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
SCHEMBL2128950 1.00 IDO1 (0.36) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL10104789 0.93 S1PR1 (0.34) AAK1S1PR1
SCHEMBL2130407 0.92 S1PR1 (0.35) IDO1AAK1S1PR1
SCHEMBL2130419 0.92 S1PR1 (0.35) IDO1AAK1S1PR1
SCHEMBL2129459 0.91 AAK1 (0.33) AAK1S1PR1
SCHEMBL2129463 0.91 AAK1 (0.33) AAK1S1PR1
SCHEMBL2127632 0.88 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2127642 0.88 IDO1 (0.40) IDO1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2130277 0.83 AAK1 (0.35) AAK1S1PR1
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 3 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
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 IDO1 814/4885ALDH1A1 1665/4885HPGD 3164/4885

“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.