SCHEMBL23219194

SCHEMBL23219194

NCC(=O)CC(C=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
MMP2 P08253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CPA1 P15085 3/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
TRPA1 O75762 1/20 0.41
SRR Q9GZT4 2/20 0.41
EPHX1 P07099 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CTSC P53634 2/20 0.41
MME P08473 1/20 0.41
SLC15A1 P46059 1/20 0.40

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
SCHEMBL7328940 0.83 CYP1A2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1915970 0.82 CPA3 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7321758 0.82 TAAR1 (0.44) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL28924046 0.82 TRPA1 (0.64) TRPA1ACE
SCHEMBL10589550 0.80 CYP1A2 (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10799571 0.80 CYP1A2 (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28924048 0.78 CTSK (0.45) TRPA1MME
SCHEMBL28924082 0.78 TRPA1 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19812667 0.78 EPHX1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7325384 0.78 TSHR (0.50) ALPIPKMPTGS1XIAPSLC7A5

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
US-20240092831-A1 Proteasome Inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2024-03-21 US disclosed
EP-4041747-A1 PROTEASOME INHIBITORS Mayo Foundation for Medical Education and Research (US) 2022-08-17 EP disclosed
WO-2021072212-A1 PROTEASOME INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-04-15 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-20240092831-A1 Proteasome Inhibitors PSMG3, PSMC5, PSMC1 ALPI 2554/4885PKM 1815/4885PTGS1 3241/4885

“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.