SCHEMBL4874726

SCHEMBL4874726

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(CN2CCNC(=O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.39
TNIK Q9UKE5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
OGA O60502 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL4991333 0.92 AOC3 (0.41) AOC3OGA
SCHEMBL4988852 0.88 AOC3 (0.41) AOC3ALDH1A1OGA
SCHEMBL4991656 0.87 AOC3 (0.40) AOC3SMN1; SMN2ALDH1A1OGA
SCHEMBL5999926 0.87 AOC3 (0.40) AOC3ALDH1A1OGA
SCHEMBL4876251 0.86 AOC3 (0.40) AOC3ALDH1A1OGA
SCHEMBL4983237 0.86 AOC3 (0.41) AOC3TNIKSMN1; SMN2ENPP2JAK2
SCHEMBL4992674 0.85 AOC3 (0.39) AOC3ALDH1A1OGA
SCHEMBL4987493 0.85 AOC3 (0.41) AOC3SMN1; SMN2ALDH1A1POLB
SCHEMBL4984987 0.85 AOC3 (0.39) AOC3ALDH1A1OGA
SCHEMBL4985608 0.84 AOC3 (0.38) AOC3TNIKALDH1A1OGA

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 782/4885TNIK 2245/4885SMN1; SMN2 966/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885TNIK 2439/4885SMN1; SMN2 3587/4885

“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.