SCHEMBL20788950

SCHEMBL20788950

N[C@H](CC(=O)O)Cc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
DPP4 P27487 4/20 0.40
DPP7 Q9UHL4 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CPA1 P15085 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IDO1 P14902 2/20 0.39
GPR52 Q9Y2T5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL976137 1.00 PPARG (0.44) PPARGPPARADPP4DPP7TAAR1
SCHEMBL976138 1.00 PPARG (0.44) PPARGPPARADPP4DPP7TAAR1
SCHEMBL3323726 0.83 CA12 (0.40) PPARGPPARADPP4DPP7DPP8
SCHEMBL978947 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL29478389 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL288805 0.81 DPP4 (0.41) DPP4DPP7CPA1GABBR2GABBR1
SCHEMBL29478405 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL5079144 0.81 AKR1B1 (0.55) DPP4DPP7TAAR1CPA1GABBR2
SCHEMBL288309 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL978945 0.81 DPP4 (0.57) DPP4DPP7DPP8DPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed
US-20190076400-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. 2019-03-14 US 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-20190076400-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF OPRL1, OPRM1, OPRK1 PPARG 1269/4885PPARA 539/4885DPP4 423/4885

“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.