SCHEMBL5079201

SCHEMBL5079201

Cc1ccccc1OCCC(N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
SLC1A5 Q15758 2/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 3/20 0.50
SCN4A P35499 2/20 0.50
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NOTUM Q6P988 1/20 0.47

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
SCHEMBL5079199 1.00 TDP1 (0.55) TDP1SLC1A5ALDH1A1KDM4EHTT
SCHEMBL14381175 0.88 PPARG (0.51) TDP1SLC1A5PTGESALOX5PPARG
SCHEMBL27734568 0.88 TDP1 (0.55) TDP1ALDH1A1KDM4EHTTSCN4A
SCHEMBL27734570 0.88 TDP1 (0.55) TDP1ALDH1A1KDM4EHTTSCN4A
SCHEMBL28437613 0.84 SCN4A (0.61) TDP1SLC1A5KDM4EHTTSCN4A
SCHEMBL28429023 0.84 SCN4A (0.61) TDP1SLC1A5KDM4EHTTSCN4A
SCHEMBL28429026 0.84 SCN4A (0.61) TDP1SLC1A5KDM4EHTTSCN4A
SCHEMBL27255557 0.84 SLC1A5 (0.48) TDP1SLC1A5ALDH1A1KDM4EHTT
SCHEMBL11645685 0.83 NOTUM (0.57) TDP1ALDH1A1KDM4EHTTNOTUM
SCHEMBL14381174 0.82 MRGPRX4 (0.48) TDP1SLC1A5ALDH1A1KDM4ENOTUM

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
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
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

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 TDP1 4082/4885SLC1A5 1606/4885ALDH1A1 4570/4885

“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.