SCHEMBL5527786

SCHEMBL5527786

CC(C)(C)c1nc(CC(=O)N2CCOCC2)c(C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.43
PIK3CB P42338 10/20 0.43
PIK3CA P42336 4/20 0.41
CYP3A4 P08684 6/20 0.41
PIK3CG P48736 1/20 0.41
MAPT P10636 2/20 0.39
PTGS2 P35354 1/20 0.38
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 2/20 0.36

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 0.88 SMN1; SMN2 (0.36) PIK3CDPIK3CBPIK3CACYP3A4PIK3CG
SCHEMBL5528693 0.87 SMN1; SMN2 (0.41) PIK3CDPIK3CBMAPTPTGS2RAB9A
SCHEMBL5520342 0.86 MAPT (0.39) PIK3CDPIK3CBCYP3A4MAPTPTGS2
SCHEMBL5524876 0.84 L3MBTL1 (0.38) PIK3CDPIK3CBPIK3CACYP3A4PIK3CG
SCHEMBL5525930 0.83 DPP4 (0.38) PIK3CDPIK3CBPIK3CACYP3A4PIK3CG
SCHEMBL10266176 0.81 PIK3CD (0.43) PIK3CDPIK3CBPIK3CACYP3A4PIK3CG
SCHEMBL5525943 0.79 L3MBTL1 (0.36) PIK3CDPIK3CBPIK3CACYP3A4PIK3CG
SCHEMBL5528666 0.77 KCNA3 (0.41)
SCHEMBL5522515 0.74 CNR1 (0.37) RAB9ASMN1; SMN2NPC1POLB
SCHEMBL5525936 0.73 HSD11B1 (0.45)

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 PIK3CD 526/4885PIK3CB 342/4885PIK3CA 164/4885

“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.