SCHEMBL3339807

SCHEMBL3339807

COC(=O)C1CC[C@H](NC(=O)OC(C)(C)C)C(N)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSK P43235 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
MAOA P21397 1/20 0.34
CPB1 P15086 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
SCHEMBL10476730 1.00 BTK (0.50) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3339805 1.00 BTK (0.50) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4083645 1.00 BTK (0.50) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL1503739 1.00 BTK (0.50) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4362967 0.88 BTK (0.64) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4359099 0.88 BTK (0.64) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL31664496 0.87 BTK (0.47) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL5902017 0.87 KMT2A (0.47) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL1503772 0.84 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL13672053 0.84 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BTK 13/4885KDM1A 3872/4885MAOB 493/4885

“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.