SCHEMBL5606903

SCHEMBL5606903

COc1cccc(S(=O)(=O)NCc2ccc(C[C@H](N)C(=O)O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 3/20 0.60
RECQL P46063 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 1/20 0.54
MEP1B Q16820 1/20 0.53
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
TSHR P16473 1/20 0.50
AKR1C3 P42330 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 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
SCHEMBL27734520 1.00 ALDH1A1 (0.60) ALDH1A1MAPTGAARECQLMEN1
SCHEMBL5607294 0.87 PGR (0.60) ALDH1A1MAPTGAARECQLSMN1; SMN2
SCHEMBL27754740 0.87 PGR (0.60) ALDH1A1MAPTGAARECQLSMN1; SMN2
SCHEMBL8232101 0.86 TSHR (0.67) ALDH1A1SMN1; SMN2LMNAHTTHPGD
SCHEMBL5607840 0.83 KEAP1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL27754918 0.83 KEAP1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL870402 0.83 TSHR (0.63) ALDH1A1SMN1; SMN2LMNAHTTMEP1B
SCHEMBL27734721 0.83 HSD11B1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5078485 0.83 HSD11B1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17101683 0.79 ALDH1A1 (0.64) ALDH1A1MAPTGAARECQLMEN1

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 4 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 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 ALDH1A1 4570/4885MAPT 4761/4885GAA 473/4885

“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.