SCHEMBL4876188

SCHEMBL4876188

CCOC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.48
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4875902 0.91 AOC3 (0.58) AOC3RORC
SCHEMBL4873931 0.86 AOC3 (0.50) AOC3RORC
SCHEMBL4987469 0.86 AOC3 (0.57) AOC3RORCALDH1A1
SCHEMBL5496093 0.84 AOC3 (0.59) AOC3
SCHEMBL4876184 0.84 AOC3 (0.49) AOC3HSD17B10KDM4EUSP2HPGD
SCHEMBL5551608 0.84 AOC3 (0.60) AOC3RORCALDH1A1
SCHEMBL4991579 0.83 AOC3 (0.48) AOC3
SCHEMBL4873660 0.83 AOC3 (0.61) AOC3HSD17B10RORCALDH1A1
SCHEMBL4988932 0.83 AOC3 (0.56) AOC3TSHRRORC
SCHEMBL6389590 0.83 AOC3 (0.54) AOC3HSD17B10KDM4EUSP2HPGD

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 2 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

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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885HSD17B10 3213/4885KDM4E 3386/4885

“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.