SCHEMBL4873170

SCHEMBL4873170

CC(=O)Nc1nc(CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)c(CN2CCC[C@H]2C(=O)N(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.40
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
CNR2 P34972 1/20 0.31
AADAT Q8N5Z0 1/20 0.31

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
SCHEMBL4985426 0.87 AOC3 (0.42) AOC3
SCHEMBL4870710 0.87 AOC3 (0.43) AOC3KCNH2MCHR1
SCHEMBL4987383 0.87 AOC3 (0.37) AOC3
SCHEMBL4987401 0.85 AOC3 (0.36) AOC3
SCHEMBL14019604 0.83 AOC3 (0.42) AOC3
SCHEMBL6392533 0.83 AOC3 (0.42) AOC3KCNH2MCHR1
SCHEMBL4876004 0.83 AOC3 (0.39) AOC3KCNH2MCHR1
Hydrochloric Acid SCHEMBL4865638 0.83 AOC3 (0.42) AOC3
Carbamic Acid SCHEMBL4876017 0.81 AOC3 (0.42) AOC3
SCHEMBL4867103 0.77 AOC3 (0.47) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KCNH2 2096/4885MCHR1 367/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885KCNH2 1612/4885MCHR1 580/4885

“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.