SCHEMBL15375474

SCHEMBL15375474

NN1C[C@@H](COCc2ccccc2)OC1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.46
GRM2 Q14416 8/20 0.44
PTPN1 P18031 2/20 0.42
CDC25B P30305 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CTSV O60911 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL15375553 1.00 LMNA (0.55) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL15375475 1.00 LMNA (0.55) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL2823472 0.82 GRM2 (0.68) LMNAGRM2
SCHEMBL9752599 0.80 LMNA (0.51) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL11233634 0.78 GRM2 (0.58) LMNAGRM2
SCHEMBL15375534 0.78 LMNA (0.49) LMNAL3MBTL1GRM2PTPN1CDC25B
SCHEMBL11230811 0.76 GRM2 (0.65) GRM2
SCHEMBL3142790 0.75 LMNA (0.63) LMNAL3MBTL1PTPN1CDC25BTAAR1
SCHEMBL1269318 0.75 GRM2 (0.51) LMNAGRM2
SCHEMBL9872188 0.74 LMNA (0.57) LMNAL3MBTL1PTPN1CDC25BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284306-B2 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel POLICHEM SA (LU) 2016-03-15 US disclosed
US-9067927-B2 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel POLICHEM SA (LU) 2015-06-30 US disclosed
US-20150148547-A1 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel POLICHEM SA (LU) 2015-05-28 US disclosed
US-20150119431-A1 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel POLICHEM SA (LU) 2015-04-30 US disclosed
EP-2847189-A1 (R) -NIFURATEL, ITS USE FOR THE TREATMENT OF INFECTIONS AND SYNTHESIS OF (R) AND (S) -NIFURATEL Polichem SA (LU) 2015-03-18 EP disclosed
WO-2013167295-A1 (R) -NIFURATEL, ITS USE FOR THE TREATMENT OF INFECTIONS AND SYNTHESIS OF (R) AND (S) -NIFURATEL POLICHEM SA (LU) 2013-11-14 WO disclosed
EP-2662371-A1 (R)-Nifuratel and synthesis of (R) and (S)-Nifuratel Polichem SA (LU) 2013-11-13 EP 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 (2 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-20150119431-A1 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel BLVRB, NRDC, NISCH LMNA 4327/4885L3MBTL1 1160/4885GRM2 4126/4885
US-20150148547-A1 (R)-Nifuratel, its use for the treatment of infections and synthesis of (R) and (S)-Nifuratel BLVRB, NRDC, NISCH LMNA 4327/4885L3MBTL1 1160/4885GRM2 4126/4885

“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.