SCHEMBL2129589

SCHEMBL2129589

CCCCC(CO)(CCc1ccc(Br)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.42
IDO1 P14902 2/20 0.36
TSHR P16473 1/20 0.35
S1PR1 P21453 3/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2129582 1.00 AAK1 (0.42) AAK1IDO1TSHRS1PR1HPGD
SCHEMBL15284448 0.94 AAK1 (0.43) AAK1IDO1TSHRHPGDHTT
SCHEMBL2130134 0.94 AAK1 (0.43) AAK1IDO1TSHRHPGDHTT
SCHEMBL2130129 0.94 AAK1 (0.43) AAK1IDO1TSHRHPGDHTT
SCHEMBL589720 0.92 AAK1 (0.46) AAK1IDO1TSHRHPGDHTT
SCHEMBL2128048 0.85 AAK1 (0.41) AAK1IDO1TSHRHPGDHTT
SCHEMBL2128042 0.85 AAK1 (0.41) AAK1IDO1TSHRHPGDHTT
SCHEMBL2129061 0.84 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL2129066 0.84 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL3693377 0.84 AAK1 (0.42) AAK1IDO1TSHRHPGDHTT

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 AAK1 3218/4885IDO1 814/4885TSHR 918/4885

“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.