SCHEMBL3171373

SCHEMBL3171373

COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.76
MAPT P10636 2/20 0.76
PKM P14618 2/20 0.76
MCL1 Q07820 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
MAPK1 P28482 1/20 0.76
GALK1 P51570 1/20 0.76
PTPN2 P17706 1/20 0.73
PTPN6 P29350 1/20 0.73
CDC25B P30305 1/20 0.73
PTPN11 Q06124 1/20 0.73
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
POLB P06746 3/20 0.73
P2RX3 P56373 1/20 0.73
PSD A5PKW4 1/20 0.73
HIF1AN Q9NWT6 1/20 0.68
BLM P54132 4/20 0.68
DNMT1 P26358 3/20 0.68
TDP1 Q9NUW8 3/20 0.68

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
SCHEMBL3171382 1.00 PTPN1 (0.76) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL3171364 1.00 PTPN1 (0.76) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL7859595 0.87 P2RX3 (0.65) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1904875 0.85 KMT2A (1.00) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1904878 0.85 KMT2A (1.00) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1904877 0.85 KMT2A (1.00) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1905769 0.85 P2RX3 (0.72) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1905772 0.85 P2RX3 (0.72) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL1905767 0.85 P2RX3 (0.72) PTPN1MAPTPKMMCL1NPSR1
SCHEMBL17298736 0.84 P2RX3 (1.00) PTPN1MAPTPKMMCL1NPSR1

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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 PTPN1 2099/4885MAPT 2957/4885PKM 3882/4885

“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.