SCHEMBL3338665

SCHEMBL3338665

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 2/20 0.36
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.34
CTSD P07339 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 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
SCHEMBL13672053 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL763952 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3338661 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL715488 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL3586608 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL4463947 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL1503772 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL30473186 1.00 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL28451571 0.88 BTK (0.44) BTKKDM1AMAOBNFKB1NFKB2
SCHEMBL31009025 0.88 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.