SCHEMBL5076607

SCHEMBL5076607

N[C@@H](Cc1ccc(CNC(=O)c2cccnc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
NAMPT P43490 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL5076615 1.00 TSHR (0.64) TSHRNAMPTHDAC3HDAC4HDAC1
SCHEMBL5082554 0.85 SLC7A5 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5607088 0.85 SLC7A5 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5607141 0.85 RAB9A (0.64) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5607137 0.85 RAB9A (0.64) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL21689996 0.83 MMP13 (0.60) GAAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL354041 0.82 TSHR (0.76) TSHRNAMPTHDAC3HDAC4HDAC1
SCHEMBL21690447 0.81 PPARG (0.67) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL28793879 0.81 TSHR (0.74) TSHRNAMPTHDAC3HDAC4HDAC1
SCHEMBL1769568 0.81 MEN1 (0.62) TSHRHDAC1HDAC6NPC1THRB

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
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
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 TSHR 100/4885NAMPT 2622/4885HDAC3 2998/4885

“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.