SCHEMBL1899666

SCHEMBL1899666

C#Cc1ccc(C2(NC(=O)O)CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
SSTR4 P31391 1/20 0.37
TACR3 P29371 2/20 0.35
PDE2A O00408 5/20 0.35
CYP2C9 P11712 3/20 0.35
DPP4 P27487 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
VNN1 O95497 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
SCHEMBL1608427 0.84 VNN1 (0.42) SSTR4TACR3DPP4VNN1
SCHEMBL13254923 0.83 SSTR4 (0.42) SSTR4TACR3DPP4HDAC3HDAC1
SCHEMBL2712662 0.79 SSTR4 (0.53) SSTR4TACR3DPP4HDAC3HDAC1
SCHEMBL1905128 0.79 AKT1 (0.40) CTSLCTSBCTSSPDE2A
SCHEMBL361827 0.78 MAPK1 (0.39) SSTR4TACR3PDE2AHDAC3HDAC1
SCHEMBL2173859 0.78 ALDH1A1 (0.41) SSTR4TACR3PDE2AHDAC3HDAC1
SCHEMBL16161986 0.78 HDAC4 (0.47) SSTR4TACR3HDAC3HDAC1HDAC2
SCHEMBL9900730 0.77 VNN1 (0.40) TACR3HDAC6VNN1
SCHEMBL3560390 0.75 SSTR4 (0.56) SSTR4TACR3HDAC3HDAC1HDAC2
SCHEMBL27224162 0.75 ALDH1A1 (0.40) SSTR4TACR3PDE2AHDAC3HDAC1

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 CTSL 2188/4885CTSB 949/4885CTSS 2230/4885

“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.