SCHEMBL7707873

SCHEMBL7707873

NCCC(=O)NCC[C]=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.35
MMP2 P08253 1/20 0.35
SLC6A5 Q9Y345 2/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CASP2 P42575 1/20 0.32
KDM4A O75164 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 1/20 0.31
DOHH Q9BU89 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SELP P16109 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
SCHEMBL17233398 0.96 CYP3A4 (0.38) TSHRCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL17233382 0.96 CYP3A4 (0.38) TSHRCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL27801743 0.82
SCHEMBL4760493 0.79
SCHEMBL28389114 0.77
SCHEMBL7204674 0.77 CASP2 (0.52) TSHRCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL12829898 0.77 CASP2 (0.46) TSHRCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL5049817 0.75 FAAH (0.47) TSHRALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL4167987 0.75
SCHEMBL2257886 0.75

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-9181305-B2 Exendin-4 peptide analogues SANOFI (FR) 2015-11-10 US claimed
US-8697647-B2 Hybrid polypeptides with selectable properties ASTRAZENECA PHARMACEUTICALS LP 2014-04-15 US claimed
US-20120253023-A1 HYBRID POLYPEPTIDES WITH SELECTABLE PROPERTIES AMYLIN PHARMACEUTICALS, INC. (US) 2012-10-04 US claimed
US-6335320-B1 Method of treating fibrotic conditions UCB S.A. (BE) 2002-01-01 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 (1 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-20120253023-A1 HYBRID POLYPEPTIDES WITH SELECTABLE PROPERTIES IAPP, IGFBP1, PGF TSHR 808/4885CYP3A4 4838/4885CYP2D6 4845/4885

“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.