SCHEMBL6475129

SCHEMBL6475129

O=C(NC(CN1CCc2cc(O)ccc2C1=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
CASP1 P29466 2/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
ITGB3 P05106 5/20 0.44
ITGAV P06756 1/20 0.44
CTSK P43235 7/20 0.43
ITGA2B P08514 4/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43

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
SCHEMBL15372554 0.92 CASP1 (0.47) CASP1PRMT5WDR77FNTAFNTB
SCHEMBL6474739 0.90 ITGB3 (0.56) HRH1CASP1ITGB3ITGA2B
SCHEMBL6481213 0.89 CASP1 (0.45) CASP1PRMT5WDR77FNTAFNTB
SCHEMBL6474369 0.85 AOC3 (0.49) CASP1ITGB3ITGAVITGA2B
SCHEMBL15372503 0.84 ITGB3 (0.49) HRH1CASP1ITGB3ITGA2B
SCHEMBL6474852 0.82 ITGB3 (0.55) CASP1ITGB3ITGA2B
SCHEMBL6481405 0.82 ITGB3 (0.49) CASP1ITGB3ITGA2B
SCHEMBL6483573 0.80 ITGB3 (0.51) CASP1ITGB3CTSKITGA2B
SCHEMBL6483170 0.79 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL10443426 0.77 CASP1 (0.61) HRH1CASP1ITGB3ITGAVCTSK

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-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 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-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG HRH1 723/4885CASP1 2140/4885PRMT5 2588/4885

“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.