SCHEMBL6315924

SCHEMBL6315924

COc1cc(C=CC(=O)NCC2Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.40
PTPRC P08575 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRE P23469 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 6/20 0.38
FLT3 P36888 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PARP1 P09874 1/20 0.38
PTPN6 P29350 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL6322712 0.87 PTPN1 (0.41) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6317449 0.86 MAPT (0.52) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6205718 0.85 KMT2A (0.49) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL7860899 0.85 ALDH1A1 (0.39) TP53MAPTFLT3NPSR1NPC1
SCHEMBL6315775 0.83 NPC1 (0.41) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6318337 0.83 PTPN1 (0.47) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6316673 0.82 PTPN1 (0.46) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6316945 0.82 PTPN1 (0.45) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6314256 0.81 FLT3 (0.46) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6314280 0.80 KMT2A (0.55) PTPN1PTPRCPTPN2PTPRBPTPRE

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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA PTPN1 7/4885PTPRC 6/4885PTPN2 9/4885

“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.