SCHEMBL2175307

SCHEMBL2175307

CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc2)[C@@H](C=O)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.40
KLK5 Q9Y337 6/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ABCB1 P08183 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
STS P08842 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL5833363 1.00 KLK7 (0.40) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7962411 1.00 KLK7 (0.40) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL2175304 1.00 KLK7 (0.40) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7270587 0.91 KLK7 (0.41) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7279540 0.89 KLK7 (0.38) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7360985 0.89 MAPT (0.38) CYP3A4ALDH1A1MAPTSTSSMN1; SMN2
SCHEMBL7270189 0.89 KLK7 (0.38) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7279530 0.89 KLK7 (0.38) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7270193 0.89 KLK7 (0.38) KLK7KLK5CYP3A4ALDH1A1MAPT
SCHEMBL7950824 0.88 KLK7 (0.37) KLK7KLK5CYP3A4ALDH1A1MAPT

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
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KLK7 2496/4885KLK5 1265/4885CYP3A4 2514/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KLK7 2496/4885KLK5 1265/4885CYP3A4 2514/4885

“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.