SCHEMBL2133547

SCHEMBL2133547

CC(CO)(CCc1ccc(Sc2cc(C(F)(F)F)ccc2O)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
AAK1 Q2M2I8 8/20 0.35
CCR2 P41597 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
CSNK2A1 P68400 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
SCHEMBL2133537 1.00 IDO1 (0.36) IDO1AAK1CCR2KDM4EMEN1
SCHEMBL2131316 0.89 IDO1 (0.34) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2131321 0.89 IDO1 (0.34) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2129594 0.89 AAK1 (0.34) IDO1AAK1CCR2S1PR1PTGDR2
SCHEMBL2129602 0.89 AAK1 (0.34) IDO1AAK1CCR2S1PR1PTGDR2
SCHEMBL10104827 0.88 IDO1 (0.38) IDO1AAK1KDM4EMEN1ALDH1A1
SCHEMBL2131156 0.88 AAK1 (0.35) IDO1AAK1PTGDR2
SCHEMBL2131159 0.88 AAK1 (0.35) IDO1AAK1PTGDR2
SCHEMBL2129039 0.87 IDO1 (0.33) IDO1CCR2KDM4EMEN1ALDH1A1
SCHEMBL2129045 0.87 IDO1 (0.33) IDO1CCR2KDM4EMEN1ALDH1A1

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 814/4885AAK1 3218/4885CCR2 319/4885

“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.