SCHEMBL1058013

SCHEMBL1058013

CC(=O)Nc1ncc(S(=O)(=O)N2CCOCC2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 6/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
PIK3CG P48736 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 3/20 0.44
SCN9A Q15858 1/20 0.43
GCK P35557 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL17298834 0.95 L3MBTL1 (0.48) L3MBTL1KMT2ALPAR1LPAR2MAPT
SCHEMBL16903932 0.87 POLB (0.53) L3MBTL1KMT2ALPAR1LPAR2MAPT
SCHEMBL1000263 0.86 LPAR1 (0.51) KMT2ALPAR1LPAR2MAPTPOLB
SCHEMBL16906771 0.78 TGM2 (0.53) LPAR1LPAR2SCN9A
SCHEMBL28316347 0.76 UCHL1 (0.58) PIK3CGPOLBALDH1A1
SCHEMBL14419937 0.74 FFAR2 (0.52) KMT2AMAPTPIK3CGMEN1SMN1; SMN2
SCHEMBL4860224 0.74 CCNE1 (0.44) KMT2AMAPTPIK3CGMEN1SMN1; SMN2
SCHEMBL1234637 0.74 PIK3CG (0.53) L3MBTL1KMT2AMAPTRAB9APIK3CG
SCHEMBL27099904 0.74 OGA (0.65) SMN1; SMN2
SCHEMBL1062277 0.74 ALDH1A1 (0.48) L3MBTL1KMT2AMAPTGAAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-07-26 US disclosed
EP-2451453-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004018-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO 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-20120189579-A1 SUBSTITUTED PYRROLIDINONE AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE POLM, POLRMT, POLR2E L3MBTL1 4316/4885KMT2A 3056/4885LPAR1 3936/4885

“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.