SCHEMBL8232013

SCHEMBL8232013

Cc1ccccc1CC(=O)NC[C@H](N)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
P2RX7 Q99572 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
CTBP2 P56545 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5082951 0.88 ALDH1A1 (0.48) MAPK8KMT2ASMN1; SMN2NPC1MEN1
SCHEMBL5082948 0.88 ALDH1A1 (0.48) MAPK8KMT2ASMN1; SMN2NPC1MEN1
SCHEMBL27734750 0.79 ALDH1A1 (0.54) KMT2ASMN1; SMN2NPC1MEN1POLB
SCHEMBL14381153 0.79 ALDH1A1 (0.54) KMT2ASMN1; SMN2NPC1MEN1POLB
SCHEMBL8226896 0.78 CNR1 (0.51) KMT2AMEN1RAB9AHPGDALDH1A1
SCHEMBL10483592 0.76 DPP4 (0.48) HPGDALDH1A1KDM4ECTBP2
SCHEMBL5843233 0.76 MAPK8 (0.50) MAPK8KMT2ASMN1; SMN2NPC1MEN1
SCHEMBL8228170 0.76 HPGD (0.54) KMT2ASMN1; SMN2NPC1MEN1RAB9A
SCHEMBL5843237 0.76 MAPK8 (0.50) MAPK8KMT2ASMN1; SMN2NPC1MEN1
SCHEMBL11550242 0.74 MAPK8 (0.54) MAPK8KMT2ASMN1; SMN2NPC1MEN1

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
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 MAPK8 3649/4885KMT2A 3688/4885SMN1; SMN2 1582/4885

“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.