SCHEMBL5528666

SCHEMBL5528666

CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2nc(C(C)(C)C)sc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HSD11B1 P28845 2/20 0.40
CYP2C9 P11712 1/20 0.40
PARP1 P09874 3/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
NAMPT P43490 1/20 0.38
EPHX2 P34913 1/20 0.37
MERTK Q12866 1/20 0.37
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5525936 0.94 HSD11B1 (0.45) KCNA3CKS1BSKP1SKP2HSD11B1
SCHEMBL5527822 0.84 DTYMK (0.42) CKS1BSKP1SKP2
SCHEMBL13494127 0.83 HSD11B1 (0.44) CKS1BSKP1SKP2HSD11B1CYP2C9
SCHEMBL5524876 0.82 L3MBTL1 (0.38) KMT2AMEN1L3MBTL1
SCHEMBL5525930 0.82 DPP4 (0.38) KMT2AMEN1L3MBTL1
SCHEMBL10266388 0.81 HSD11B1 (0.42) CKS1BSKP1SKP2HSD11B1CYP2C9
SCHEMBL5520342 0.78 MAPT (0.39) HSD11B1L3MBTL1
SCHEMBL5527781 0.77 RXFP1 (0.38) EPHX2KMT2AMEN1L3MBTL1
SCHEMBL4953395 0.72 CTSK (0.52) KCNA3HSD11B1CYP2C9EPHX1CTSK
SCHEMBL17323937 0.72 EPHX2 (0.57) HSD11B1CYP2C9EPHX1CTSKEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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 (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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 KCNA3 2427/4885CKS1B 409/4885SKP1 2312/4885

“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.