SCHEMBL4598978

SCHEMBL4598978

NC(CC(=O)O)Cc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ENPEP Q07075 1/20 0.48
FOLH1 Q04609 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTGES O14684 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 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
SCHEMBL20788954 1.00 ANPEP (0.48) ANPEPENPEPFOLH1TAAR1FFAR1
SCHEMBL30810322 0.82 GRIA2 (0.55) ANPEPENPEPFOLH1TAAR1EPHX1
SCHEMBL28828020 0.82 ANPEP (0.49) ANPEPENPEPFOLH1EPHX1CPA1
SCHEMBL28064623 0.82 ANPEP (0.49) ANPEPENPEPFOLH1EPHX1CPA1
SCHEMBL289224 0.82 ANPEP (0.49) ANPEPENPEPFOLH1THRATHRB
SCHEMBL22607933 0.82 FOLH1 (0.45) FOLH1FFAR1FFAR4HCAR2ESR1
SCHEMBL22607932 0.82 FOLH1 (0.45) FOLH1FFAR1FFAR4HCAR2ESR1
SCHEMBL22734422 0.82 GRIA2 (0.55) ANPEPENPEPFOLH1TAAR1EPHX1
SCHEMBL28064622 0.82 ANPEP (0.49) ANPEPENPEPFOLH1EPHX1CPA1
SCHEMBL27999580 0.82 ANPEP (0.49) ANPEPENPEPFOLH1THRATHRB

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 5 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
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 US disclosed
EP-1907413-A2 ANTIBACTERIAL AMIDE MACROCYCLES VII AiCuris GmbH & Co. KG (DE) 2008-04-09 EP disclosed
WO-2007006548-A2 ANTIBACTERIAL AMIDE MACROCYCLES VII AICURIS GMBH & CO. KG (DE) 2007-01-18 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 (2 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 ANPEP 105/4885ENPEP 198/4885FOLH1 349/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 ANPEP 196/4885ENPEP 90/4885FOLH1 2530/4885

“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.