SCHEMBL5525936

SCHEMBL5525936

CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2nc(C(C)(C)C)sc2C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.45
CYP2C9 P11712 1/20 0.45
CTSK P43235 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KCNA3 P22001 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL5528666 0.94 KCNA3 (0.41) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL13494127 0.89 HSD11B1 (0.44) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL10266388 0.87 HSD11B1 (0.42) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL5527822 0.80 DTYMK (0.42) CKS1BSKP1SKP2
SCHEMBL5524876 0.79 L3MBTL1 (0.38) HDAC3HDAC1HDAC2
SCHEMBL5525930 0.78 DPP4 (0.38)
SCHEMBL5522515 0.75 CNR1 (0.37) HSD11B1
SCHEMBL5520342 0.74 MAPT (0.39) HSD11B1
SCHEMBL10288446 0.73 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL16621799 0.73 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2

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 1 patent. 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

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 HSD11B1 2030/4885CYP2C9 657/4885CTSK 1306/4885

“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.