SCHEMBL5607009

SCHEMBL5607009

COc1ccc(C(=O)Nc2ccc(CC(N)C(=O)O)cc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 3/20 0.56
KLKB1 P03952 1/20 0.55
ALDH1A1 P00352 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
PLG P00747 2/20 0.50
KLK1 P06870 2/20 0.50
KLK6 Q92876 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5082946 1.00 CA1 (0.58) CA1CA2CA7CA9NPC1
SCHEMBL5607822 0.86 PPARA (0.56) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL5080127 0.86 PPARA (0.56) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL5607803 0.85 MAPT (0.60) NPC1MEN1KMT2ARAB9AKLKB1
SCHEMBL5607808 0.85 MAPT (0.60) NPC1MEN1KMT2ARAB9AKLKB1
SCHEMBL2229876 0.82 NPC1 (0.59) CA1CA2CA7CA9NPC1
SCHEMBL19234478 0.82 NPC1 (0.64) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL19234471 0.82 NPC1 (0.64) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL16149341 0.81 NPC1 (0.74) CA1CA2CA7CA9NPC1
SCHEMBL5607820 0.81 NPC1 (0.64) NPC1MEN1KMT2ARAB9AALDH1A1

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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN 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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP CA1 4129/4885CA2 3196/4885CA7 4167/4885

“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.