SCHEMBL4874911

SCHEMBL4874911

CNC(=O)C1CCN(C(=O)c2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 3/20 0.37
ALDH1A1 P00352 5/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4877015 0.91 AOC3 (0.39) OGAMEN1KMT2AAOC3TSHR
SCHEMBL4869142 0.90 AOC3 (0.35) OGAMEN1KMT2AAOC3ALDH1A1
SCHEMBL4987286 0.87 AOC3 (0.39) OGAMEN1KMT2AAOC3ALDH1A1
SCHEMBL4873818 0.87 AOC3 (0.38) AOC3ALDH1A1SMN1; SMN2TSHR
SCHEMBL5669927 0.86 OGA (0.44) OGAAOC3
SCHEMBL4986320 0.85 OGA (0.35) OGAAOC3ALDH1A1ABL1RIN1
SCHEMBL14019533 0.85 AOC3 (0.40) OGAKMT2AAOC3ALDH1A1ABL1
SCHEMBL4991768 0.85 AOC3 (0.37) AOC3ALDH1A1
Hydrochloric Acid SCHEMBL4874821 0.85 AOC3 (0.41) OGAKMT2AAOC3ALDH1A1ABL1
SCHEMBL4871881 0.84 AOC3 (0.39) KMT2AAOC3ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
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-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 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 OGA 3571/4885MEN1 2478/4885KMT2A 4395/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 OGA 3571/4885MEN1 2478/4885KMT2A 4395/4885

“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.