SCHEMBL6320216

SCHEMBL6320216

CCOC(=O)C(=O)Nc1n[nH]cc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.43
GPR35 Q9HC97 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL27535954 0.88 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APKMMAPT
SCHEMBL17785271 0.85 GLA (0.47) ALDH1A1KMT2AMEN1ALOX15TSHR
SCHEMBL13871639 0.81 KMT2A (0.46) ALDH1A1NPC1MAPTKMT2AMEN1
SCHEMBL2699548 0.80 KDM4E (0.48) ALDH1A1MAPTKMT2AMEN1ALOX15
SCHEMBL7966204 0.80 ALDH1A1 (0.41) ALDH1A1NPC1MAPTKMT2AMEN1
SCHEMBL7420973 0.80 ALDH1A1 (0.41) ALDH1A1NPC1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL2702233 0.79 KDM4E (0.47) ALDH1A1MAPTKMT2AMEN1ALOX15
SCHEMBL8694256 0.77 NPC1 (0.53) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL8978070 0.77 GAA (0.45) ALDH1A1NPC1MAPTKMT2AMEN1
SCHEMBL3356162 0.74 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1ALOX15

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-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046244-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 (2 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO ALDH1A1 3669/4885NPC1 3287/4885RAB9A 2766/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885NPC1 2766/4885RAB9A 2114/4885

“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.