SCHEMBL4430587

SCHEMBL4430587

N[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
KYNU Q16719 2/20 0.53
SLC1A1 P43005 4/20 0.50
SLC1A3 P43003 3/20 0.50
SLC1A2 P43004 3/20 0.50
HPGD P15428 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.45
FPR1 P21462 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRIK1 P39086 2/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43

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
SCHEMBL8291801 0.88 HPGD (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31369963 0.84 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6631104 0.80 HPGD (0.54) SLC1A1SLC1A3SLC1A2HPGDCA1
SCHEMBL6631110 0.80 HPGD (0.54) SLC1A1SLC1A3SLC1A2HPGDCA1
SCHEMBL14215519 0.79 HPGD (0.56) SLC1A1SLC1A3SLC1A2HPGDCA1
SCHEMBL9574381 0.77 HPGD (0.58) SLC1A1SLC1A3SLC1A2HPGDCA1
SCHEMBL12527474 0.76 EPHX1 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27413722 0.76 CA1 (0.48) SLC1A1SLC1A3SLC1A2HPGDCA1
SCHEMBL12491102 0.76 EPHX1 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6734115 0.76 SLC1A3 (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120936-B Etching liquid medicine and preparation method and application thereof 上海天承化学有限公司 2024-06-25 CN claimed
CN-116120936-A Etching liquid medicine and preparation method and application thereof 上海天承化学有限公司 2023-05-16 CN claimed
US-5541290-A OLIGOPEPTIDE CONTAINING ALPHA-KETOAMIDE GROUP, TREATMENT OF ALZHEIMER*S DISEASE AND OTHER NEURODEGENERATIVE DISORDERS CORTEX PHARMACEUTICALS, INC. 1996-07-30 US claimed
WO-1995000535-A1 OPTICALLY PURE CALPAIN INHIBITOR COMPOUNDS ALKERMES, INCORPORATED (US) 1995-01-05 WO claimed
CN-116120936-B Etching liquid medicine and preparation method and application thereof 上海天承化学有限公司 2024-06-25 CN disclosed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed
CN-116120936-A Etching liquid medicine and preparation method and application thereof 上海天承化学有限公司 2023-05-16 CN disclosed
US-7517855-B2 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON, LLC (US) 2009-04-14 US disclosed
US-20040162239-A1 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON LLC 2004-08-19 US disclosed
US-5541290-A OLIGOPEPTIDE CONTAINING ALPHA-KETOAMIDE GROUP, TREATMENT OF ALZHEIMER*S DISEASE AND OTHER NEURODEGENERATIVE DISORDERS CORTEX PHARMACEUTICALS, INC. 1996-07-30 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-20040162239-A1 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof HDGF, VIP, PGF ALPI 1697/4885PKM 2171/4885PTGS1 227/4885

“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.