SCHEMBL1503890

SCHEMBL1503890

CC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSD P07339 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
REN P00797 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HSD11B1 P28845 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL1503748 1.00 AKT1 (0.43) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1503893 1.00 AKT1 (0.43) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1503750 1.00 AKT1 (0.43) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1503868 0.85 KMT2A (0.45) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1503870 0.85 KMT2A (0.45) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1504083 0.85 KMT2A (0.45) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1504079 0.85 KMT2A (0.45) AKT1EPHX2KMT2AL3MBTL1CTSD
SCHEMBL1503767 0.80 AKT1 (0.43) AKT1KMT2AL3MBTL1NFKB1NFKB2
SCHEMBL4264989 0.79 NAAA (0.48) EPHX2KMT2AL3MBTL1CTSL
SCHEMBL4261289 0.79 NAAA (0.48) EPHX2KMT2AL3MBTL1CTSL

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 3451/4885EPHX2 2815/4885KMT2A 3179/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AKT1 3643/4885EPHX2 3356/4885KMT2A 3485/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 AKT1 3549/4885EPHX2 482/4885KMT2A 1453/4885

“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.