SCHEMBL2127642

SCHEMBL2127642

CC(CO)(CCc1ccc(Sc2cc(Cl)ccc2OC(=O)OC(C)(C)C)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AAK1 Q2M2I8 11/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
S1PR1 P21453 1/20 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
SCHEMBL2127632 1.00 IDO1 (0.40) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL10104770 0.92 AAK1 (0.36) IDO1AAK1S1PR1
SCHEMBL2130115 0.91 IDO1 (0.41) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL2130120 0.91 IDO1 (0.41) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL2129602 0.90 AAK1 (0.34) IDO1AAK1S1PR1
SCHEMBL2129594 0.90 AAK1 (0.34) IDO1AAK1S1PR1
SCHEMBL2128950 0.88 IDO1 (0.36) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL2128956 0.88 IDO1 (0.36) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL3695713 0.85 IDO1 (0.41) IDO1HPGDALDH1A1SMN1; SMN2HTT
SCHEMBL19114045 0.83 IDO1 (0.35) IDO1HPGDALDH1A1SMN1; SMN2HTT

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 IDO1 814/4885HPGD 3164/4885ALDH1A1 1665/4885

“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.