SCHEMBL6205718

SCHEMBL6205718

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.44
NOD1 Q9Y239 2/20 0.44
FLT3 P36888 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 6/20 0.42
PTPRC P08575 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPRB P23467 2/20 0.42
PTPRE P23469 2/20 0.42
GLO1 Q04760 1/20 0.42
RAB7A P51149 3/20 0.42
PTPN6 P29350 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 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
SCHEMBL6314943 0.91 KMT2A (0.56) KMT2AHPGDMEN1NOD1FLT3
SCHEMBL6315924 0.85 PTPN1 (0.40) KMT2AHPGDMEN1FLT3RAB9A
SCHEMBL6206528 0.85 RAB7A (0.55) KMT2AHPGDMEN1NOD1RAB9A
SCHEMBL6320489 0.85 PTPN1 (0.43) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6317331 0.84 SMN1; SMN2 (0.45) KMT2AHPGDMEN1RAB9AALDH1A1
SCHEMBL7159306 0.84 HPGD (0.52) KMT2AHPGDMEN1NOD1FLT3
SCHEMBL6315632 0.83 RAB7A (0.47) KMT2AHPGDMEN1RAB9AALDH1A1
SCHEMBL6316963 0.83 PTPN1 (0.47) KMT2AHPGDMEN1RAB9AALDH1A1
SCHEMBL6315982 0.82 SMN1; SMN2 (0.49) KMT2AHPGDMEN1NOD1RAB9A
SCHEMBL6315826 0.82 RAB7A (0.46) KMT2AHPGDMEN1NOD1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP claimed
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
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
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
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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 (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 KMT2A 3329/4885HPGD 2593/4885MEN1 3307/4885

“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.