SCHEMBL6316825

SCHEMBL6316825

CCOC(=O)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.41
GRIN2C Q14957 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 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
SCHEMBL6311619 0.90 HSD17B10 (0.41) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6318495 0.88 ALDH1A1 (0.44) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL7525566 0.87 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6317640 0.87 GRIN2C (0.41) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL7516389 0.87 ALDH1A1 (0.40) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6316820 0.85 PPID (0.48) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6311428 0.84 PTPN2 (0.38) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6313108 0.84 MEN1 (0.38) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6312575 0.84 ALDH1A1 (0.41) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6320149 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTNPSR1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
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
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP 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 (3 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 HSD17B10 1468/4885KDM4E 2277/4885SMN1; SMN2 1660/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA HSD17B10 1518/4885KDM4E 2352/4885SMN1; SMN2 1576/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 HSD17B10 1130/4885KDM4E 1223/4885SMN1; SMN2 1880/4885

“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.