SCHEMBL5501203

SCHEMBL5501203

NCCS(=O)(=O)OC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
SLC15A1 P46059 2/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
MMP2 P08253 2/20 0.44
LTA4H P09960 1/20 0.43
CYP1A2 P05177 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SRR Q9GZT4 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
SCHEMBL7155008 0.81 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28872276 0.81 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8610379 0.80 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21553135 0.80 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7087166 0.79 SLC7A5 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27746572 0.79 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27831833 0.79 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.77 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28363715 0.77 ANPEP (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18274697 0.76 ALPI (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106860446-A Pediatric compound amino acid injection 19AA I compositions and the method for reducing its oxygen content 华润双鹤药业股份有限公司 2017-06-20 CN disclosed
US-7189708-B2 Topical composition for skin KAO CORPORATION (JP) 2007-03-13 US disclosed
EP-1090625-B1 Topical composition for the skin and use thereof KAO CORP (JP) 2004-12-22 EP disclosed
CN-1434706-A Compounds and methods for modulating cerebral anyloid angiopathy NEWROCHEM INC (CA) 2003-08-06 CN disclosed
US-20030087833-A1 Topical composition for skin KAO CORPORATION (JP) 2003-05-08 US disclosed
US-6489291-B1 Topical composition for skin KAO CORPORATION (JP) 2002-12-03 US disclosed
EP-1090625-A2 Topical composition for the skin and use thereof Kao Corporation (JP) 2001-04-11 EP 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-20030087833-A1 Topical composition for skin CUTA, SLC38A7, CCR8 ALPI 2330/4885PKM 4575/4885PTGS1 3795/4885

“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.