SCHEMBL1901455

SCHEMBL1901455

CCn1c(S(C)(=O)=O)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.37
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE2A O00408 3/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
CHEK1 O14757 1/20 0.33
POLB P06746 1/20 0.33
MERTK Q12866 1/20 0.33
TACR3 P29371 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32

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
SCHEMBL1907722 0.91 AKT1 (0.41) TNK2AURKALCKPDE2AAKT1
SCHEMBL1905568 0.91 TNK2 (0.39) TNK2AURKALCKPTGS2PDE2A
SCHEMBL1904909 0.91 ALDH1A1 (0.41) TNK2LCKPDE2AAKT1AKT2
SCHEMBL1902637 0.89 TNK2 (0.37) TNK2AURKAPTGS2PDE2AAKT1
SCHEMBL1906102 0.87 TNK2 (0.36) TNK2AURKALCKPDE2ACHEK1
SCHEMBL1902104 0.87 TNK2 (0.35) TNK2AURKALCKPDE2ACHEK1
SCHEMBL12095453 0.85 TNK2 (0.34) TNK2AURKALCKPDE2AAKT1
SCHEMBL1900549 0.84 AURKA (0.40) TNK2AURKALCKCHEK1
SCHEMBL14118763 0.83 AKT1 (0.41) TNK2LCKPDE2AAKT1AKT2
SCHEMBL14118797 0.83 AKT1 (0.39) TNK2LCKPTGS2PDE2AAKT1

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 33/4885AURKA 527/4885LCK 428/4885

“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.