SCHEMBL4734573

SCHEMBL4734573

CC(C)(C)OC(=O)NCCCc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
TBXAS1 P24557 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL12647368 0.96 TBXAS1 (0.49) STK17BSTK17ATBXAS1TDP1MEN1
SCHEMBL6585454 0.95 TDP1 (0.51) STK17BSTK17ATBXAS1TDP1MEN1
SCHEMBL4713820 0.92 NPSR1 (0.47) STK17BSTK17ATBXAS1TDP1NAMPT
SCHEMBL3794186 0.83 L3MBTL1 (0.48) STK17BSTK17ATDP1NAMPTL3MBTL1
SCHEMBL2780861 0.80 TBXAS1 (0.54) TBXAS1NAMPT
SCHEMBL22039513 0.79 TDP1 (0.44) STK17BSTK17ATDP1MEN1KMT2A
SCHEMBL24306044 0.78 TBXAS1 (0.50) TBXAS1NAMPTPOLB
SCHEMBL4242018 0.78 FDPS (0.41) STK17BSTK17ATBXAS1TDP1L3MBTL1
SCHEMBL3845409 0.78 MEN1 (0.42) STK17BSTK17ATDP1MEN1KMT2A
SCHEMBL24872799 0.78 MEN1 (0.45) STK17BSTK17ATDP1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008067222-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 WO disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-20020103207-A1 Farnesyl protein transferase inhibitors TAVERAS ARTHUR G (US) 2002-08-01 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS STK17B 2606/4885STK17A 2129/4885TBXAS1 1517/4885
US-20020103207-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, ACAT2 STK17B 2645/4885STK17A 1990/4885TBXAS1 1427/4885

“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.