SCHEMBL2129097

SCHEMBL2129097

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.46
IDO1 P14902 2/20 0.40
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3690260 0.91 AAK1 (0.46) AAK1IDO1TSHRHPGDSMN1; SMN2
SCHEMBL3690264 0.91 AAK1 (0.46) AAK1IDO1TSHRHPGDSMN1; SMN2
SCHEMBL2129992 0.86 AAK1 (0.42) AAK1IDO1ROCK2ROCK1TSHR
SCHEMBL2129061 0.85 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL2129066 0.85 AAK1 (0.47) AAK1IDO1TSHR
SCHEMBL10104857 0.84 AAK1 (0.41) AAK1IDO1ROCK2ROCK1TSHR
SCHEMBL589720 0.84 AAK1 (0.46) AAK1IDO1ROCK2ROCK1TSHR
SCHEMBL2127459 0.83 AAK1 (0.41) AAK1IDO1ROCK2ROCK1TSHR
SCHEMBL590070 0.83 AAK1 (0.44) AAK1IDO1ROCK2ROCK1TSHR
SCHEMBL2130134 0.80 AAK1 (0.43) AAK1IDO1ROCK2ROCK1TSHR

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 5 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-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
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 814/4885ROCK2 3268/4885

“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.