SCHEMBL7100085

SCHEMBL7100085

NC(Cc1ccc(Nc2nccc3ccccc23)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
FDPS P14324 1/20 0.42
TPH1 P17752 7/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
RAB9A P51151 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA1 P78396 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CIT O14578 1/20 0.41
WEE1 P30291 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6537407 0.87 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2990667 0.87 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7105541 0.86 SLC7A5 (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2986240 0.86 SLC7A5 (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31098963 0.80 NPSR1 (0.56) FDPSRAB9ACDK2FLT3CCNA1
SCHEMBL7718422 0.80 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7718430 0.80 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30990375 0.79 SLC7A5 (0.72) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2312504 0.78 DHODH (0.62) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28178750 0.78 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 SLC7A5 778/4885ALPI 1329/4885PKM 3367/4885

“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.