SCHEMBL1900447

SCHEMBL1900447

Cc1nc(S(C)(=O)=O)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.38
PTGS2 P35354 2/20 0.37
TACR3 P29371 2/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 3/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 1/20 0.34
PDE2A O00408 3/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
MERTK Q12866 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
SCHEMBL1906909 0.90 AKT1 (0.42) TNK2PTGS2TACR3CHEK1AURKA
SCHEMBL14118834 0.90 PDE2A (0.39) TNK2PTGS2TACR3CHEK1AURKA
SCHEMBL1903764 0.90 EGFR (0.37) TNK2PTGS2TACR3CHEK1AURKA
SCHEMBL1901360 0.90 EGFR (0.36) TNK2PTGS2TACR3CHEK1AURKA
SCHEMBL14118856 0.89 TNK2 (0.41) TNK2CHEK1AURKAALDH1A1HPGD
SCHEMBL1903076 0.86 ALDH1A1 (0.46) TNK2AURKAALDH1A1HPGDHSD17B10
SCHEMBL1901161 0.86 AURKA (0.36) TNK2PTGS2CHEK1AURKAKDR
SCHEMBL1902848 0.85 TACR3 (0.37) TNK2PTGS2TACR3CHEK1AURKA
SCHEMBL1905401 0.85 TACR3 (0.36) TNK2TACR3CHEK1AURKAKDR
SCHEMBL1902637 0.83 TNK2 (0.37) TNK2PTGS2TACR3CHEK1AURKA

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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 (1 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 TNK2 33/4885PTGS2 2547/4885TACR3 3761/4885

“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.