SCHEMBL10104857

SCHEMBL10104857

CCCC[C@@](CCc1ccc(Br)cc1Cl)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.41
IDO1 P14902 2/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
S1PR1 P21453 2/20 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
SCHEMBL2129992 0.94 AAK1 (0.42) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL3693377 0.91 AAK1 (0.42) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL3693374 0.91 AAK1 (0.42) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL2127459 0.85 AAK1 (0.41) AAK1IDO1TSHRHPGDHTT
SCHEMBL3691588 0.85 AAK1 (0.43) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL3691586 0.85 AAK1 (0.43) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL2129097 0.84 AAK1 (0.46) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL2129582 0.83 AAK1 (0.42) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL2129589 0.83 AAK1 (0.42) AAK1IDO1TSHRHPGDKDM4E
SCHEMBL590070 0.79 AAK1 (0.44) AAK1IDO1TSHRHPGDKDM4E

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
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 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.