SCHEMBL3609861

SCHEMBL3609861

NC(=O)c1cccc(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.60
PARP1 P09874 8/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
POLB P06746 1/20 0.41
TDP2 O95551 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN2 P17706 1/20 0.37
ALOX5 P09917 1/20 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
SCHEMBL1732288 0.89 PTPN1 (0.65) PTPN1POLBGAAMEN1MAPT
SCHEMBL1731120 0.85 PTPN1 (0.56) PTPN1GAAMAPTL3MBTL1
SCHEMBL643464 0.81 PTPN1 (0.66) PTPN1MEN1MAPTKMT2APTPN2
SCHEMBL1688153 0.78 PTPN1 (0.66) PTPN1GAAMEN1MAPTKMT2A
SCHEMBL1731203 0.78 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL3221761 0.76 PTPN1 (0.49) PTPN1PARP1PTPN2
SCHEMBL1732116 0.76 PTPN1 (1.00) PTPN1GAAMEN1MAPTKMT2A
SCHEMBL1731402 0.75 PTPN1 (0.96) PTPN1GAAMEN1MAPTKMT2A
SCHEMBL15158748 0.74 PTPN1 (0.60) PTPN1MEN1KMT2APTPN2ALOX5
SCHEMBL641427 0.73 PTPN1 (0.63) PTPN1POLBGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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 (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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 PTPN1 2277/4885PARP1 2329/4885PARP15 766/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD PTPN1 1980/4885PARP1 3023/4885PARP15 1519/4885

“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.