SCHEMBL4875745

SCHEMBL4875745

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)NCCNC(=O)Cc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.39
AOC3 Q16853 3/20 0.37
CSNK1D P48730 1/20 0.35
RORC P51449 6/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
GLS O94925 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EPHX2 P34913 1/20 0.33
RORB Q92753 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
SCHEMBL4986164 0.92 AOC3 (0.35) AOC3
SCHEMBL4864969 0.90 SCD (0.42) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4990577 0.90 SCD (0.38) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4877581 0.88 AOC3 (0.36) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4985430 0.88 AOC3 (0.39) AOC3MAPTPOLBRAB9ARXFP1
SCHEMBL4875659 0.88 AOC3 (0.37) AOC3POLB
SCHEMBL4987280 0.87 AOC3 (0.37) AOC3
SCHEMBL4875750 0.87 GHSR (0.36) AOC3EPHX2
SCHEMBL4982248 0.87 AOC3 (0.34) AOC3MAPTPOLBRAB9A
SCHEMBL4871391 0.86 AOC3 (0.39) 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 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 SCD 2681/4885AOC3 782/4885CSNK1D 1836/4885

“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.