SCHEMBL6474034

SCHEMBL6474034

CCOC(=O)CCCN1CCn2nc(C(=O)O)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ITGB3 P05106 8/20 0.45
ITGA2B P08514 8/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TNF P01375 2/20 0.42
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
MCHR1 Q99705 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 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
SCHEMBL6474441 0.93 POLB (0.52) POLBITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL6481898 0.85 PKM (0.48) POLBITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL7314851 0.85 TNF (0.41) ITGB3ITGA2BALDH1A1CYP1A2CYP2C19
SCHEMBL6475204 0.79 PKM (0.49) POLBITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL7304398 0.78 ITGB3 (0.38) POLBITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL7300441 0.78 GRM5 (0.40) POLBALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7986884 0.77 TNF (0.37) ALDH1A1TNFMAPT
SCHEMBL6480916 0.76 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2LMNA
SCHEMBL23980136 0.72 POLB (0.52) POLBITGB3ITGA2BALDH1A1CYP1A2
SCHEMBL8684605 0.71 POLB (0.56) POLBITGB3ITGA2BALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
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
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP 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 POLB 4570/4885ITGB3 173/4885ITGA2B 100/4885

“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.