SCHEMBL6537418

SCHEMBL6537418

NC(Cc1ccc(Oc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PTPN1 P18031 2/20 0.43
SLC7A5 Q01650 4/20 0.43
HSD17B10 Q99714 2/20 0.42
TPH1 P17752 5/20 0.41
PTGS1 P23219 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
XIAP P98170 1/20 0.41
FFAR1 O14842 1/20 0.41
PCNA P12004 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR2A P28223 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
SCHEMBL2982326 1.00 ITGB3 (0.45) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL5227325 0.92 ITGB3 (0.44) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL5147588 0.88 PTGS2 (0.45) FFAR1PTGS2DRD1ACACB
SCHEMBL5262657 0.88 PTGS2 (0.45) FFAR1PTGS2DRD1ACACB
SCHEMBL5258853 0.87 DRD1 (0.41) TPH1FFAR1KDM4EPTGS2DRD1
SCHEMBL5258864 0.87 DRD1 (0.41) TPH1FFAR1KDM4EPTGS2DRD1
SCHEMBL6537259 0.84 TPH1 (0.41) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
SCHEMBL2984999 0.84 TPH1 (0.41) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
Hydrochloric Acid SCHEMBL7259635 0.84 TPH1 (0.41) ITGB3ITGA2BPTPN1SLC7A5HSD17B10
Hydrochloric Acid SCHEMBL7259630 0.84 TPH1 (0.41) ITGB3ITGA2BPTPN1SLC7A5HSD17B10

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
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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 (3 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 ITGB3 12/4885ITGA2B 53/4885PTPN1 1724/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 ITGB3 8/4885ITGA2B 47/4885PTPN1 1507/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL ITGB3 91/4885ITGA2B 201/4885PTPN1 646/4885

“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.