SCHEMBL5227325

SCHEMBL5227325

N[C@@H](Cc1ccc(Oc2nccc3cnccc23)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PTPN1 P18031 2/20 0.43
SLC7A5 Q01650 4/20 0.42
HSD17B10 Q99714 2/20 0.41
TPH1 P17752 3/20 0.41
FFAR1 O14842 1/20 0.41
PTGS1 P23219 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
XIAP P98170 1/20 0.40
PCNA P12004 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6537418 0.92 ITGB3 (0.45) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL2982326 0.92 ITGB3 (0.45) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL5265495 0.88 PTGS2 (0.44) FFAR1PTGS2GRM4TRPV1
SCHEMBL5265497 0.88 PTGS2 (0.44) FFAR1PTGS2GRM4TRPV1
SCHEMBL2311696 0.80 ITGB3 (0.43) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL5147588 0.80 PTGS2 (0.45) FFAR1PTGS2GRM4
SCHEMBL5262657 0.80 PTGS2 (0.45) FFAR1PTGS2GRM4
SCHEMBL2311692 0.80 ITGB3 (0.43) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL6376344 0.80 SLC7A5 (0.56) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL5258853 0.79 DRD1 (0.41) TPH1FFAR1KDM4EPTGS2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP disclosed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 US disclosed
EP-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP disclosed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 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-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ITGA4, ITGB4, ITGA2 ITGB3 14/4885ITGA2B 12/4885PTPN1 553/4885

“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.