SCHEMBL4875900

SCHEMBL4875900

CCN(C(=O)O)c1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.52
RORC P51449 1/20 0.36
PSMB5 P28074 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATR Q13535 1/20 0.33
NAMPT P43490 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
SCHEMBL5998880 0.86 AOC3 (0.51) AOC3
SCHEMBL4875990 0.86 AOC3 (0.46) AOC3PSMB5
SCHEMBL4986255 0.83 AOC3 (0.63) AOC3RORC
SCHEMBL1443560 0.81 AOC3 (0.74) AOC3
Hydrochloric Acid SCHEMBL4875467 0.80 AOC3 (0.73) AOC3
SCHEMBL14417440 0.79 AOC3 (0.59) AOC3SMN1; SMN2
SCHEMBL4866979 0.76 AOC3 (0.55) AOC3ATR
SCHEMBL14417438 0.76 AOC3 (0.63) AOC3RORC
SCHEMBL14019640 0.75 AOC3 (0.73) AOC3
Hydrochloric Acid SCHEMBL4867107 0.75 AOC3 (0.64) AOC3RORC

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 3 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
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 AOC3 782/4885RORC 2850/4885PSMB5 3384/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885RORC 4550/4885PSMB5 3965/4885

“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.