SCHEMBL4874389

SCHEMBL4874389

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(CN2CCC[C@H](C(=O)N(C)C)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.41
AOC3 Q16853 6/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2B P18089 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL4863748 1.00 OGA (0.41) OGAAOC3KDM4EALDH1A1ADRA2B
SCHEMBL3931802 0.95 AOC3 (0.39) OGAAOC3
SCHEMBL3943888 0.95 AOC3 (0.39) OGAAOC3
SCHEMBL4873154 0.91 AOC3 (0.40) OGAAOC3
SCHEMBL4870871 0.90 OGA (0.45) OGAAOC3KDM4EADRA2BSLC6A4
SCHEMBL4874830 0.90 OGA (0.45) OGAAOC3KDM4EADRA2BSLC6A4
SCHEMBL4984550 0.87 OGA (0.39) OGAAOC3KDM4EALDH1A1HTT
SCHEMBL4985674 0.87 OGA (0.39) OGAAOC3KDM4EALDH1A1HTT
SCHEMBL4876004 0.87 AOC3 (0.39) AOC3
SCHEMBL3933517 0.86 AOC3 (0.41) OGAAOC3

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 3571/4885AOC3 782/4885KDM4E 3386/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 OGA 3571/4885AOC3 782/4885KDM4E 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.