SCHEMBL6537259

SCHEMBL6537259

Cc1cc2ccncc2c(Oc2ccc(CC(N)C(=O)O)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 5/20 0.41
PTPN1 P18031 1/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
PCNA P12004 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SLC7A5 Q01650 4/20 0.40
HSD17B10 Q99714 2/20 0.40
PTGS1 P23219 2/20 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
PTGS2 P35354 1/20 0.40
RECQL P46063 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
SCHEMBL2984999 1.00 TPH1 (0.41) TPH1PTPN1THRATHRBPCNA
Hydrochloric Acid SCHEMBL7259630 0.99 TPH1 (0.41) TPH1PTPN1THRATHRBPCNA
Hydrochloric Acid SCHEMBL7259635 0.99 TPH1 (0.41) TPH1PTPN1THRATHRBPCNA
SCHEMBL5149326 0.90 SCN9A (0.38) TPH1ADORA3PTGS2PPARGMAPT
SCHEMBL7264847 0.85 TPH1 (0.43) TPH1PTPN1SLC7A5PTGS1MAPT
SCHEMBL7264836 0.85 TPH1 (0.43) TPH1PTPN1SLC7A5PTGS1MAPT
SCHEMBL2982326 0.84 ITGB3 (0.45) TPH1PTPN1PCNAITGB3ITGA2B
SCHEMBL6537418 0.84 ITGB3 (0.45) TPH1PTPN1PCNAITGB3ITGA2B
SCHEMBL5149334 0.84 JAK2 (0.38) ITGB3ITGA2BPPARGMAPT
SCHEMBL5149330 0.81 PTGER4 (0.35) PTGS1HIF1AMEN1KMT2AMAPT

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 5 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-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 (2 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 TPH1 703/4885PTPN1 1724/4885THRA 378/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 TPH1 660/4885PTPN1 1507/4885THRA 331/4885

“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.