SCHEMBL4131695

SCHEMBL4131695

COC(=O)c1cccnc1SCC#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 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
SCHEMBL11337662 0.85 L3MBTL1 (0.46) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL9661173 0.81 PKM (0.68) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL4288255 0.81 CYP3A4 (0.51) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL18795683 0.79 L3MBTL1 (0.64) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL8630241 0.78 L3MBTL1 (1.00) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL9501471 0.78 L3MBTL1 (0.64) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL3717527 0.77 KMT2A (0.72) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL11083124 0.77 HSD17B10 (0.63) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL4630903 0.76 L3MBTL1 (0.61) L3MBTL1PKMMEN1KMT2ATSHR
SCHEMBL29361868 0.75 TDP1 (0.48) L3MBTL1PKMKMT2ATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885PKM 2457/4885MEN1 4592/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885PKM 2457/4885MEN1 4592/4885

“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.