SCHEMBL6311619

SCHEMBL6311619

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRIN2C Q14957 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7525566 0.92 SMN1; SMN2 (0.41) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6316825 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6318495 0.86 ALDH1A1 (0.44) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6312573 0.85 PTPN2 (0.36) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7516389 0.85 ALDH1A1 (0.40) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6317640 0.85 GRIN2C (0.41) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6313108 0.82 MEN1 (0.38) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6311428 0.82 PTPN2 (0.38) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6312674 0.82 ALDH1A1 (0.41) HSD17B10ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6312575 0.82 ALDH1A1 (0.41) HSD17B10ALDH1A1KMT2AMEN1SMN1; 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 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 1468/4885ALDH1A1 3669/4885KMT2A 3317/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA HSD17B10 1518/4885ALDH1A1 3737/4885KMT2A 3329/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 HSD17B10 1130/4885ALDH1A1 2235/4885KMT2A 3051/4885

“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.