SCHEMBL714373

SCHEMBL714373

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
KDM1A O60341 2/20 0.33
RAB9A P51151 1/20 0.33
CTSL P07711 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL714292 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRMAOB
SCHEMBL19009053 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRMAOB
SCHEMBL3302426 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRMAOB
SCHEMBL11888288 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1TSHRMAOB
SCHEMBL2709392 0.84 BTK (0.53) KMT2AMAOBMAOABTKSMN1; SMN2
SCHEMBL10476741 0.84 BTK (0.53) KMT2AMAOBMAOABTKSMN1; SMN2
SCHEMBL2712349 0.84 BTK (0.53) KMT2AMAOBMAOABTKSMN1; SMN2
SCHEMBL2712346 0.84 BTK (0.53) KMT2AMAOBMAOABTKSMN1; SMN2
SCHEMBL765476 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRMAOB
SCHEMBL3341366 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011823-A1 SALT OF AMINE-PROTECTED (1S,2R,4S)-1,2-AMINO-N,N-DIMETHYLCYCLOHEXANE-4-CARBOXAMIDE MYLAN LABORATORIES LIMITED (IN) 2018-01-18 WO disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20120053349-A1 OXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-01 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 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 (7 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 KMT2A 3495/4885MEN1 726/4885ALDH1A1 3430/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885MEN1 457/4885ALDH1A1 3319/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3179/4885MEN1 507/4885ALDH1A1 3529/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KMT2A 3693/4885MEN1 989/4885ALDH1A1 3454/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885MEN1 457/4885ALDH1A1 3319/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KMT2A 1453/4885MEN1 1094/4885ALDH1A1 793/4885
US-20120053349-A1 OXAMIDE DERIVATIVE SULT1E1, PKD2, PKD1 KMT2A 1451/4885MEN1 1737/4885ALDH1A1 299/4885

“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.