SCHEMBL23880583

SCHEMBL23880583

O=C(O)C(=O)OC#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
FFAR1 O14842 5/20 0.43
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PAM P19021 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
VCP P55072 1/20 0.38
HNF4A P41235 1/20 0.38
HSP90AA1 P07900 1/20 0.37
AGTR1 P30556 1/20 0.37
PAX8 Q06710 1/20 0.37
TLR9 Q9NR96 1/20 0.37
F2 P00734 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL25391778 0.84 NPSR1 (0.43) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL28908443 0.84 NPC1 (0.44) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL17667983 0.81 ELANE (0.42) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL2256472 0.79 LMNA (0.52) APPFFAR1NPSR1LMNAALDH1A1
SCHEMBL9364505 0.79 NPSR1 (0.46) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL1713040 0.79 LMNA (0.46) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL38695 0.79 NPC1 (0.47) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL5709263 0.76 AKR1C3 (0.51) FFAR1NPSR1LMNAKDM4EALDH1A1
SCHEMBL3262337 0.76 LMNA (0.36) APPFFAR1NPSR1LMNAKDM4E
SCHEMBL2746516 0.75 ALDH1A1 (0.52) APPFFAR1KDM4EALDH1A1PAM

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
EP-4132523-A1 NOVEL N-ARYL OXAMIC ACIDS Purdue Research Foundation (US) 2023-02-15 EP disclosed
US-11192850-B2 N-aryl oxamic acids PURDUE RESEARCH FOUNDATION (US) 2021-12-07 US disclosed
US-20210309606-A1 Novel N-aryl Oxamic Acids PURDUE RESEARCH FOUNDATION (US) 2021-10-07 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 (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-20210309606-A1 Novel N-aryl Oxamic Acids PTPRB, PTPRO, PTPRM APP 1142/4885FFAR1 1903/4885NPSR1 2930/4885
US-11192850-B2 N-aryl oxamic acids PTPRB, PTPRO, PTPRM APP 1114/4885FFAR1 2088/4885NPSR1 2901/4885

“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.