SCHEMBL5520342

SCHEMBL5520342

CN1CCN(C(=O)Cc2nc(C(C)(C)C)sc2C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIK3CD O00329 5/20 0.35
PIK3CB P42338 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 2/20 0.33
HSD11B1 P28845 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5527791 0.90 SMN1; SMN2 (0.36) PTGS2LMNATSHRHDAC4HDAC6
SCHEMBL5528693 0.88 SMN1; SMN2 (0.41) MAPTPTGS2LMNATSHRHDAC4
SCHEMBL5527822 0.86 DTYMK (0.42) ALDH1A1SMN1; SMN2
SCHEMBL5527786 0.86 PIK3CD (0.43) MAPTPTGS2PIK3CDPIK3CBCYP3A4
SCHEMBL5524876 0.85 L3MBTL1 (0.38) TSHRHDAC4HDAC6PIK3CDPIK3CB
SCHEMBL5525930 0.84 DPP4 (0.38) TSHRPIK3CDPIK3CBL3MBTL1ALDH1A1
SCHEMBL5551871 0.81 MAPT (0.40) MAPTPTGS2LMNATSHRHDAC4
SCHEMBL5525943 0.80 L3MBTL1 (0.36) LMNAPIK3CDPIK3CBL3MBTL1ALDH1A1
SCHEMBL5528666 0.78 KCNA3 (0.41) L3MBTL1HSD11B1
SCHEMBL5522515 0.75 CNR1 (0.37) LMNATSHRALDH1A1HPGDHSD11B1

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 MAPT 2190/4885PTGS2 2353/4885LMNA 3249/4885

“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.