SCHEMBL5525943

SCHEMBL5525943

CC(C)(C)c1nc(CC(=O)N2CCC(N)C2)c(C(=O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
PIK3CD O00329 8/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CB P42338 5/20 0.32
DPP4 P27487 1/20 0.32
CYP3A4 P08684 3/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
CACNA1B Q00975 2/20 0.31
TACR3 P29371 1/20 0.30
POLB P06746 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL5525930 0.93 DPP4 (0.38) L3MBTL1HRH4HRH3PIK3CDPIK3R1
SCHEMBL13494112 0.85 L3MBTL1 (0.46) L3MBTL1KDM1AMAOAPIK3CDPIK3CB
SCHEMBL5524876 0.85 L3MBTL1 (0.38) L3MBTL1PIK3CDPIK3R1PIK3CBCYP3A4
SCHEMBL10265374 0.83 KDM1A (0.38) L3MBTL1KDM1AMAOAPIK3CDPIK3CB
SCHEMBL5527791 0.82 SMN1; SMN2 (0.36) L3MBTL1PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL5528693 0.81 SMN1; SMN2 (0.41) L3MBTL1PIK3CDPIK3CBALDH1A1LMNA
SCHEMBL5525936 0.80 HSD11B1 (0.45)
SCHEMBL5520342 0.80 MAPT (0.39) L3MBTL1HRH3PIK3CDPIK3CBCYP3A4
SCHEMBL5527786 0.79 PIK3CD (0.43) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL5528666 0.78 KCNA3 (0.41) L3MBTL1

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 L3MBTL1 4872/4885KDM1A 1087/4885MAOA 811/4885

“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.