SCHEMBL6400737

SCHEMBL6400737

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CNC(=O)c1cccc[n+]1[O-])OC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 2/20 0.37
HPGD P15428 7/20 0.35
ALDH1A1 P00352 9/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.32
POLB P06746 2/20 0.32
ESR2 Q92731 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7159868 0.82 HPGD (0.47) RAB7AHPGDALDH1A1MAPTLMNA
SCHEMBL7184202 0.80 MAOB (0.42) RAB7AHPGDALDH1A1MAPTCASP1
SCHEMBL7160354 0.80 HPGD (0.45) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7864344 0.80 RAB7A (0.36) RAB7AHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL7855442 0.80 KDM4E (0.55) RAB7AHPGDALDH1A1MAPTRAB9A
SCHEMBL7864273 0.80 HPGD (0.41) RAB7AHPGDALDH1A1MAPTNPSR1
SCHEMBL7162038 0.79 MAPT (0.54) MAPTLMNARAB9APOLB
SCHEMBL7861292 0.79 ALDH1A1 (0.52) HPGDALDH1A1LMNATSHRCASP1
SCHEMBL7155233 0.79 SMN1; SMN2 (0.56) RAB7AHPGDALDH1A1MAPTTSHR
SCHEMBL6428209 0.78 HPGD (0.54) HPGDALDH1A1TSHRCASP1L3MBTL1

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 7 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
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 3644/4885HPGD 2593/4885ALDH1A1 3737/4885

“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.