SCHEMBL4951253

SCHEMBL4951253

CN(C)C(=S)[C@H]1CC[C@H](NC(=O)O)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ GAA P10253 2/20 0.39
▸ KDM1A O60341 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ EPHX2 P34913 1/20 0.30
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL4951256 1.00 BTK (0.42) BTKGAAKDM1AMAOBCA1
SCHEMBL2709810 0.87 BTK (0.44) BTKGAAKDM1AMAOBMAOA
SCHEMBL2709814 0.87 BTK (0.44) BTKGAAKDM1AMAOBMAOA
SCHEMBL12101142 0.82 BTK (0.46) BTKGAAKDM1AMAOBMAOA
SCHEMBL4951823 0.81 BTK (0.45) BTKGAAKDM1AMAOBMAOA
SCHEMBL4951827 0.81 BTK (0.45) BTKGAAKDM1AMAOBMAOA
SCHEMBL15796249 0.80 BTK (0.63) BTKGAAKDM1AMAOBMAOA
SCHEMBL31664496 0.78 BTK (0.47) BTKGAAKDM1AMAOBCA1
SCHEMBL4367463 0.77 BTK (0.46) BTKGAAKDM1AMAOBMAOA
SCHEMBL4367460 0.77 BTK (0.46) BTKGAAKDM1AMAOBMAOA

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-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP 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-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885GAA 4788/4885KDM1A 3565/4885

“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.

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