SCHEMBL4983237

SCHEMBL4983237

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(CN2CCNC(=O)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.41
TNIK Q9UKE5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.35
GRM5 P41594 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL4877057 0.91 AOC3 (0.43) AOC3
SCHEMBL4874726 0.86 AOC3 (0.39) AOC3TNIKSMN1; SMN2ENPP2JAK2
SCHEMBL4867245 0.86 AOC3 (0.43) AOC3
SCHEMBL4871416 0.85 AOC3 (0.43) AOC3
SCHEMBL4865659 0.85 AOC3 (0.43) AOC3SMN1; SMN2
SCHEMBL4991730 0.84 AOC3 (0.42) AOC3
SCHEMBL14019618 0.84 AOC3 (0.44) AOC3TNIKSMN1; SMN2ENPP2
Hydrochloric Acid SCHEMBL4870829 0.84 AOC3 (0.45) AOC3TNIKSMN1; SMN2ENPP2
SCHEMBL28759639 0.83 AOC3 (0.41) AOC3TNIKSMN1; SMN2ENPP2JAK2
SCHEMBL4864993 0.83 AOC3 (0.41) 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 4 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885TNIK 1906/4885SMN1; SMN2 3771/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885TNIK 2245/4885SMN1; SMN2 966/4885

“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.