SCHEMBL1503767

SCHEMBL1503767

CN1CC(NC(=O)OC(C)(C)C)[C@H](N(Cc2ccccc2)C(=O)O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
KCNA3 P22001 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
PDE4B Q07343 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD11B1 P28845 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL1503890 0.80 AKT1 (0.43) AKT1KMT2AL3MBTL1CTSLCTSB
SCHEMBL1503893 0.80 AKT1 (0.43) AKT1KMT2AL3MBTL1CTSLCTSB
SCHEMBL1503750 0.80 AKT1 (0.43) AKT1KMT2AL3MBTL1CTSLCTSB
SCHEMBL1503748 0.80 AKT1 (0.43) AKT1KMT2AL3MBTL1CTSLCTSB
SCHEMBL207692 0.80 CPB1 (0.46) KMT2AL3MBTL1CTSLCTSBPDE4B
SCHEMBL3312159 0.80 CPB1 (0.46) KMT2AL3MBTL1CTSLCTSBPDE4B
SCHEMBL3312156 0.80 CPB1 (0.46) KMT2AL3MBTL1CTSLCTSBPDE4B
SCHEMBL2703620 0.80 CPB1 (0.46) KMT2AL3MBTL1CTSLCTSBPDE4B
SCHEMBL1504079 0.78 KMT2A (0.45) AKT1KMT2AL3MBTL1CTSLCTSB
SCHEMBL1503870 0.78 KMT2A (0.45) AKT1KMT2AL3MBTL1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP 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-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 (3 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R AKT1 3451/4885KMT2A 3179/4885L3MBTL1 309/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AKT1 3643/4885KMT2A 3485/4885L3MBTL1 385/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 AKT1 3549/4885KMT2A 1453/4885L3MBTL1 4055/4885

“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.