SCHEMBL1503896

SCHEMBL1503896

COC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](OS(C)(=O)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
TP53 P04637 1/20 0.35
KDM1A O60341 2/20 0.34
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RORC P51449 2/20 0.31
GAA P10253 2/20 0.31
PDE4B Q07343 2/20 0.31
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
SCHEMBL3345401 1.00 BTK (0.39) BTKMAOBMAOATP53KDM1A
SCHEMBL3345399 1.00 BTK (0.39) BTKMAOBMAOATP53KDM1A
SCHEMBL6564766 0.91 MAOB (0.40) BTKMAOBMAOATP53KDM1A
SCHEMBL10476572 0.89 BTK (0.52) BTKMAOBMAOAKDM1ACTSK
SCHEMBL4367929 0.89 BTK (0.52) BTKMAOBMAOAKDM1ACTSK
SCHEMBL4090000 0.89 BTK (0.52) BTKMAOBMAOAKDM1ACTSK
SCHEMBL3568891 0.85 BTK (0.43) BTKMAOBMAOAKDM1ACTSK
SCHEMBL31664496 0.81 BTK (0.47) BTKMAOBMAOAKDM1ACTSK
SCHEMBL714292 0.80 KMT2A (0.44) BTKMAOBMAOAKDM1AEPHX1
SCHEMBL714373 0.80 KMT2A (0.44) BTKMAOBMAOAKDM1AEPHX1

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 10 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (6 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 BTK 1356/4885MAOB 2043/4885MAOA 2552/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885MAOB 2147/4885MAOA 3264/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1117/4885MAOB 2668/4885MAOA 3736/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 BTK 280/4885MAOB 2189/4885MAOA 2938/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885MAOB 2147/4885MAOA 3264/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BTK 420/4885MAOB 161/4885MAOA 168/4885

“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.