SCHEMBL6312441

SCHEMBL6312441

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FBP1 P09467 6/20 0.41
GRIN1 Q05586 1/20 0.40
FLT1 P17948 7/20 0.39
FLT4 P35916 7/20 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
SCHEMBL6320140 0.90 GRIN1 (0.41) ALDH1A1CYP2C19CA12CA1CA2
SCHEMBL6319177 0.90 ALDH1A1 (0.47) MAPTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL6312570 0.87 CYP19A1 (0.43) MAPTALDH1A1LMNACYP3A4CYP2C19
SCHEMBL6312548 0.80 FBP1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL6318973 0.77 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2CA12CA9
SCHEMBL6312060 0.76 CYP19A1 (0.43) MAPTALDH1A1LMNASMN1; SMN2CA12
SCHEMBL6317838 0.76 CYP19A1 (0.43) ALDH1A1LMNACYP2C19CA1CA2
SCHEMBL6319180 0.75 RAB9A (0.45) MAPTALDH1A1SMN1; SMN2
SCHEMBL6310340 0.75 LMNA (0.49) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6316701 0.75 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4TSHRCYP2C19

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 10 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 claimed
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 MAPT 540/4885ALDH1A1 3669/4885LMNA 4790/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA MAPT 475/4885ALDH1A1 3737/4885LMNA 4783/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 MAPT 626/4885ALDH1A1 2235/4885LMNA 4870/4885

“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.