SCHEMBL14019558

SCHEMBL14019558

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(C(=O)NCCNS(C)(=O)=O)s1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.45
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL4875856 0.99 AOC3 (0.45) AOC3CA1CA2HTT
SCHEMBL14019574 0.91 AOC3 (0.43) AOC3
SCHEMBL14019580 0.90 AOC3 (0.45) AOC3CA1CA2
SCHEMBL4871264 0.90 AOC3 (0.42) AOC3CA1CA2CYP1A2POLB
Hydrochloric Acid SCHEMBL4874656 0.90 AOC3 (0.44) AOC3
Hydrochloric Acid SCHEMBL4877797 0.89 AOC3 (0.46) AOC3CA1CA2
SCHEMBL14045040 0.89 AOC3 (0.42) AOC3
SCHEMBL6390525 0.88 AOC3 (0.45) AOC3
Hydrochloric Acid SCHEMBL4873779 0.87 AOC3 (0.47) AOC3
SCHEMBL14044969 0.87 AOC3 (0.42) 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
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 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 202/4885CA1 4609/4885CA2 2367/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 AOC3 3576/4885CA1 884/4885CA2 254/4885

“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.