SCHEMBL924286

SCHEMBL924286

C[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.75
CASR P41180 1/20 0.66
LMNA P02545 3/20 0.62
EPHX1 P07099 2/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
EPHX2 P34913 3/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
MTOR P42345 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 1/20 0.58
NPC1 O15118 1/20 0.58

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
SCHEMBL8715644 1.00 HSD17B10 (0.75) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL15093717 1.00 HSD17B10 (0.75) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL8715641 1.00 HSD17B10 (0.75) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL13500530 0.94 HSD17B10 (0.68) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL13594604 0.90 HSD17B10 (0.68) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL14288556 0.90 HSD17B10 (0.68) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL13923627 0.90 HSD17B10 (0.68) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL10679562 0.88 HSD17B10 (0.66) HSD17B10CASRLMNAEPHX1MEN1
SCHEMBL25336459 0.86 MMP9 (0.66) HSD17B10LMNAMEN1KMT2AALDH1A1
SCHEMBL247742 0.86 HSD17B10 (0.63) HSD17B10CASRLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSD17B10 1966/4885CASR 579/4885LMNA 757/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HSD17B10 1966/4885CASR 579/4885LMNA 757/4885

“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.