SCHEMBL5606505

SCHEMBL5606505

COc1ccc(C(=O)Nc2ccc(C[C@H](N)C(=O)O)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ITGB3 P05106 1/20 0.59
ITGAV P06756 1/20 0.59
ITGA2B P08514 1/20 0.59
PKM P14618 3/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 4/20 0.55
POLB P06746 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TPH1 P17752 2/20 0.54
ROCK2 O75116 1/20 0.54
NQO2 P16083 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
USP2 O75604 1/20 0.53
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL5606512 1.00 MEN1 (0.64) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL5607786 0.86 NR1H4 (0.71) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5607801 0.86 NR1H4 (0.71) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27796791 0.84 NPC1 (0.54) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL19234471 0.84 NPC1 (0.64) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL19234478 0.84 NPC1 (0.64) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL5607825 0.82 NPC1 (0.64) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL5607820 0.82 NPC1 (0.64) MEN1KMT2AITGB3ITGAVITGA2B
SCHEMBL159000 0.80 LDHA (0.73) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL31242504 0.80 LDHA (0.73) MEN1KMT2APKMKDM4EALDH1A1

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 6 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
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 disclosed
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 disclosed
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 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 MEN1 808/4885KMT2A 3688/4885ITGB3 4608/4885

“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.