SCHEMBL5607869

SCHEMBL5607869

CCOc1cccc(C(=O)NCc2ccc(CC(N)C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SLC7A5 Q01650 2/20 0.52
EPHX2 P34913 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CHRM3 P20309 1/20 0.49
MAOB P27338 1/20 0.49
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.49
ROCK1 Q13464 1/20 0.49
MMP13 P45452 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5607860 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AHTTALDH1A1SLC7A5
SCHEMBL5607751 0.89 MMP13 (0.63) SMN1; SMN2KMT2AHTTALDH1A1SLC7A5
SCHEMBL5607748 0.89 MMP13 (0.63) SMN1; SMN2KMT2AHTTALDH1A1SLC7A5
SCHEMBL5607255 0.83 HTR2C (0.61) SLC7A5EPHX2PPARGPPARACHRM3
SCHEMBL5607247 0.83 HTR2C (0.61) SLC7A5EPHX2PPARGPPARACHRM3
SCHEMBL5606497 0.82 CA1 (0.62) KMT2AALDH1A1SLC7A5EPHX2PPARG
SCHEMBL5606488 0.82 CA1 (0.62) KMT2AALDH1A1SLC7A5EPHX2PPARG
SCHEMBL8233853 0.81 MMP13 (0.46) SMN1; SMN2KMT2AHTTALDH1A1SLC7A5
SCHEMBL5607171 0.81 SLC7A5 (0.55) SMN1; SMN2KMT2AALDH1A1SLC7A5EPHX2
SCHEMBL5607177 0.81 SLC7A5 (0.55) SMN1; SMN2KMT2AALDH1A1SLC7A5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 1582/4885KMT2A 3688/4885HTT 1492/4885

“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.