SCHEMBL5082528

SCHEMBL5082528

NC(CNC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.71
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
LTA4H P09960 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL5082519 1.00 CASR (0.71) CASRTP53EPHX1TSHREPHX2
SCHEMBL14381149 0.88 CASR (0.57) CASRTP53EPHX1TSHREPHX2
SCHEMBL607155 0.88 CASR (0.57) CASRTP53EPHX1TSHREPHX2
SCHEMBL16151129 0.85 CASR (0.59) CASREPHX2SMN1; SMN2
SCHEMBL17512866 0.85 CASR (0.59) CASREPHX2SMN1; SMN2
SCHEMBL12329822 0.84 CASR (1.00) CASR
SCHEMBL11647644 0.83 EPHX1 (0.53) CASRTP53EPHX1TSHREPHX2
SCHEMBL16552433 0.81 CASR (0.67) CASRSMN1; SMN2
SCHEMBL30143456 0.80 CASR (1.00) CASR
SCHEMBL12329176 0.80 CASR (1.00) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP CASR 803/4885TP53 4432/4885EPHX1 3506/4885

“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.