SCHEMBL5556178

SCHEMBL5556178

CCc1nc(CC(=O)N2CCC(O)CC2)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
PIK3CD O00329 6/20 0.34
PIK3CB P42338 6/20 0.34
CYP3A4 P08684 4/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CG P48736 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2C P28335 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5558508 0.87 SMN1; SMN2 (0.40) L3MBTL1PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL5552970 0.86 SMN1; SMN2 (0.45) L3MBTL1PIK3CDPIK3CBALDH1A1GAA
SCHEMBL5551871 0.85 MAPT (0.40) L3MBTL1PIK3CDPIK3CBCYP3A4ALDH1A1
SCHEMBL10265374 0.84 KDM1A (0.38) L3MBTL1PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL10266176 0.84 PIK3CD (0.43) PIK3CDPIK3CBCYP3A4PIK3CAPIK3CG
SCHEMBL5524876 0.81 L3MBTL1 (0.38) L3MBTL1PIK3CDPIK3CBCYP3A4PIK3CA
SCHEMBL5556851 0.79 DTYMK (0.38) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5557906 0.78 KMT2A (0.45) CYP3A4MEN1KMT2AHTR2CCYP2C9
SCHEMBL5557908 0.74 KMT2A (0.45) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL5553132 0.74 KMT2A (0.48) L3MBTL1ALDH1A1GAAMEN1KMT2A

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 4872/4885PIK3CD 526/4885PIK3CB 342/4885

“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.