SCHEMBL6474544

SCHEMBL6474544

CCOC(=O)Cn1nc2ccc(C(=O)OC(C)(C)C)cn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.44
GPR139 Q6DWJ6 6/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
PRKCA P17252 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL6474475 0.89 ALDH1A1 (0.39) CYP2C19CYP2C9POLBGPR139TSHR
SCHEMBL6474360 0.85 CYP2C19 (0.50) CYP2C19CYP2C9POLBGPR139TSHR
SCHEMBL7313887 0.83 CYP2C19 (0.46) CYP2C19CYP2C9POLBGPR139TSHR
SCHEMBL7301560 0.76 CYP2C19 (0.48) CYP2C19CYP2C9POLBGPR139TSHR
SCHEMBL6474348 0.74 ALDH1A1 (0.44) CYP2C19POLBGPR139TSHRNPC1
SCHEMBL6474507 0.72 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAA
SCHEMBL7303747 0.71 TNF (0.38) CYP2C19CYP2C9GPR139KDM4EHSD17B10
SCHEMBL30209304 0.70 CYP1A2 (0.46) CYP2C19CYP2C9NPC1KDM4EALDH1A1
SCHEMBL215875 0.69 SMN1; SMN2 (0.45) CYP2C19CYP2C9POLBTSHRHTT
SCHEMBL31518503 0.69 SMN1; SMN2 (0.44) CYP2C19CYP2C9POLBTSHRNPC1

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
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

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 CYP2C19 2513/4885CYP2C9 3291/4885POLB 4570/4885

“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.