SCHEMBL7537079

SCHEMBL7537079

CCOC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 6/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL7534114 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL21597699 0.79 ALDH1A1 (0.57) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL4390871 0.78 MAPT (0.73) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL7540382 0.77 ALDH1A1 (0.59) ALDH1A1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL6316126 0.75 PTPN1 (0.55) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL6317443 0.73 PTPN1 (0.57) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL7115775 0.70 MAPT (0.55) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL13768569 0.69 ALDH1A1 (0.63) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL5460524 0.68 ALDH1A1 (0.56) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL7125297 0.68 CXCR2 (0.59) ALDH1A1MAPTLMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-02-14 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062218-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES 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-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885MAPT 475/4885LMNA 4783/4885

“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.