SCHEMBL6322130

SCHEMBL6322130

O=C(CCC(=O)c1ccccc1)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 2/20 0.47
PTPN1 P18031 13/20 0.45
PTPN2 P17706 6/20 0.43
PTPRC P08575 2/20 0.43
PTPRB P23467 2/20 0.43
PTPRE P23469 2/20 0.43
PTPN6 P29350 1/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6316165 0.88 PTPN1 (0.48) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6206528 0.88 RAB7A (0.55) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6315022 0.87 RAB7A (0.51) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6316036 0.86 PTPN1 (0.47) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6321988 0.86 PTPN1 (0.47) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6323375 0.85 PTPN1 (0.43) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6322638 0.84 PTPN1 (0.45) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6395534 0.84 SMN1; SMN2 (0.50) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6323697 0.84 PTPN1 (0.45) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6317483 0.84 ALDH1A1 (0.53) RAB7APTPN1PTPN2PTPRCPTPRB

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 8 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
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO 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 RAB7A 3644/4885PTPN1 7/4885PTPN2 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.