SCHEMBL4870871

SCHEMBL4870871

CNC(=O)[C@H]1CCCN(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.45
AOC3 Q16853 6/20 0.40
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
ADRA2B P18089 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRK1 P41145 1/20 0.36
ROCK2 O75116 1/20 0.36
CCR2 P41597 1/20 0.36
ROCK1 Q13464 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4874830 1.00 OGA (0.45) OGAAOC3TP53POLBMAPT
SCHEMBL3933517 0.95 AOC3 (0.41) OGAAOC3
SCHEMBL3941136 0.95 AOC3 (0.41) OGAAOC3
SCHEMBL5669927 0.91 OGA (0.44) OGAAOC3
SCHEMBL4874389 0.90 OGA (0.41) OGAAOC3ADRA2BSLC6A4SLC6A3
SCHEMBL4863748 0.90 OGA (0.41) OGAAOC3ADRA2BSLC6A4SLC6A3
SCHEMBL4985372 0.86 OGA (0.42) OGAAOC3TP53POLBMAPT
SCHEMBL4984528 0.86 OGA (0.42) OGAAOC3TP53POLBMAPT
SCHEMBL3931802 0.86 AOC3 (0.39) OGAAOC3
SCHEMBL3943888 0.86 AOC3 (0.39) 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 6 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
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (3 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 782/4885TP53 4271/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 OGA 3571/4885AOC3 782/4885TP53 4271/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB OGA 1526/4885AOC3 590/4885TP53 4620/4885

“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.