SCHEMBL5497934

SCHEMBL5497934

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.65
PTGS1 P23219 3/20 0.63
ALPI P09923 1/20 0.63
PKM P14618 1/20 0.63
XIAP P98170 1/20 0.63
PTPN1 P18031 2/20 0.62
ITGB3 P05106 1/20 0.60
ITGA2B P08514 1/20 0.60
HIF1A Q16665 4/20 0.59
ALOX15 P16050 3/20 0.59
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
USP2 O75604 1/20 0.59
EGFR P00533 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
HTR2A P28223 1/20 0.59
PTGS2 P35354 1/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL5497939 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2310526 0.86 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL515521 0.86 SLC7A5 (0.70) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29584001 0.86 SLC7A5 (0.70) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12379284 0.86 SLC7A5 (0.70) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1768559 0.86 SLC7A5 (0.70) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL2292782 0.84 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL285217 0.84 SLC7A5 (0.80) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29556905 0.84 SLC7A5 (0.80) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL16816023 0.84 SLC7A5 (0.68) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders GENENTECH, INC. 2005-09-15 US disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 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-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders VCAM1, CD58, ITGB8 SLC7A5 1640/4885PTGS1 1881/4885ALPI 4265/4885

“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.