SCHEMBL5525930

SCHEMBL5525930

CC(C)(C)c1nc(CC(=O)N2CCC(N)CC2)c(C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CACNA1B Q00975 2/20 0.34
PIK3CD O00329 6/20 0.33
PIK3CB P42338 5/20 0.33
PKM P14618 1/20 0.32
CYP3A4 P08684 3/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL5525943 0.93 L3MBTL1 (0.36) DPP4L3MBTL1CACNA1BPIK3CDPIK3CB
SCHEMBL5524876 0.89 L3MBTL1 (0.38) L3MBTL1PIK3CDPIK3CBPKMCYP3A4
SCHEMBL5527791 0.86 SMN1; SMN2 (0.36) L3MBTL1PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL5528693 0.85 SMN1; SMN2 (0.41) L3MBTL1PIK3CDPIK3CBALDH1A1MEN1
SCHEMBL13494128 0.84 L3MBTL1 (0.47) DPP4L3MBTL1GNAI3GNAO1GNAI1
SCHEMBL5520342 0.84 MAPT (0.39) L3MBTL1PIK3CDPIK3CBCYP3A4ALDH1A1
SCHEMBL5527786 0.83 PIK3CD (0.43) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL5528666 0.82 KCNA3 (0.41) L3MBTL1MEN1KMT2A
SCHEMBL5525936 0.78 HSD11B1 (0.45)
SCHEMBL5522515 0.77 CNR1 (0.37) ALDH1A1MEN1KMT2ACNR1CNR2

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 DPP4 823/4885L3MBTL1 4872/4885GNAI3 3484/4885

“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.