SCHEMBL4873656

SCHEMBL4873656

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(Cc2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.63
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLS O94925 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4875894 0.91 AOC3 (0.61) AOC3
SCHEMBL4988925 0.89 AOC3 (0.59) AOC3POLBMAPTRAB9A
SCHEMBL4987464 0.88 AOC3 (0.59) AOC3MEN1ALDH1A1KMT2AMAPT
SCHEMBL4873929 0.87 AOC3 (0.54) AOC3
SCHEMBL5551606 0.86 AOC3 (0.64) AOC3MAPT
SCHEMBL5545300 0.86 AOC3 (0.62) AOC3
SCHEMBL3939311 0.85 AOC3 (0.68) AOC3MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL5496062 0.83 AOC3 (0.47) AOC3POLBMAPTRAB9A
SCHEMBL4873660 0.83 AOC3 (0.61) AOC3GRM2GRM3MEN1ALDH1A1
SCHEMBL4982477 0.83 AOC3 (0.49) 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 4 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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 (3 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 782/4885GRM2 3966/4885GRM3 3813/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885GRM2 2222/4885GRM3 3659/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885GRM2 4037/4885GRM3 4206/4885

“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.