SCHEMBL17870285

SCHEMBL17870285

C[C@H](NC(=O)O)C(=O)NCCC=CCCNC(=O)[C@H](C)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ECE1 P42892 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FBP1 P09467 1/20 0.31
CAPN9 O14815 1/20 0.31
CAPN1 P07384 1/20 0.31
CTSB P07858 1/20 0.31
MAPK1 P28482 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
SCHEMBL6363593 0.87 USP2 (0.36) ALDH1A1CYP2D6CYP2C19USP2TSHR
SCHEMBL17870512 0.85 CYP2D6 (0.32) ALDH1A1MAPTCYP2D6CYP2C19USP2
SCHEMBL17870511 0.85 CYP2D6 (0.32) ALDH1A1MAPTCYP2D6CYP2C19USP2
SCHEMBL17870446 0.81 CTSS (0.39) CNR1SMN1; SMN2ECE1KMT2AMAPK1
SCHEMBL25327830 0.80 KMT2A (0.50) ALDH1A1MAPTCNR1CYP2D6CYP2C19
SCHEMBL17870476 0.79 CAPN1 (0.49) ALDH1A1MAPTCYP2C19USP2TSHR
SCHEMBL15791951 0.78 CYP2D6 (0.35) ALDH1A1CYP2D6CYP2C19USP2TSHR
SCHEMBL17884298 0.76 KMT2A (0.51) CYP2D6MEN1KMT2ACAPN1CTSB
SCHEMBL17884287 0.76 KMT2A (0.51) CYP2D6MEN1KMT2ACAPN1CTSB
SCHEMBL15792286 0.75 CYP2D6 (0.39) ALDH1A1MAPTCYP2D6CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-20 US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX ALDH1A1 4444/4885MAPT 794/4885CNR1 3942/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX ALDH1A1 4444/4885MAPT 794/4885CNR1 3942/4885

“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.