SCHEMBL6317833

SCHEMBL6317833

O=C(O)C(=O)Nc1sc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK10 P53779 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTPN2 P17706 4/20 0.45
PTPN6 P29350 2/20 0.45
PTPRB P23467 1/20 0.45
PTPN1 P18031 8/20 0.43
GRIN2C Q14957 1/20 0.42
PTPN5 P54829 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
SCHEMBL5555718 0.86 ALDH1A1 (0.62) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL6310340 0.83 LMNA (0.49) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL6320149 0.79 SMN1; SMN2 (0.43) NPSR1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6317837 0.79 ALDH1A1 (0.60) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL5864648 0.79 ALDH1A1 (0.51) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL5192913 0.78 NPSR1 (0.48) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL6319180 0.78 RAB9A (0.45) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL5096639 0.77 ALDH1A1 (0.73) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL27540979 0.77 ALDH1A1 (0.49) NPSR1MAPTALDH1A1KDM4ENPC1
SCHEMBL6318973 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1LMNAKMT2A

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 NPSR1 1596/4885MAPT 540/4885ALDH1A1 3669/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA NPSR1 1658/4885MAPT 475/4885ALDH1A1 3737/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 NPSR1 1255/4885MAPT 626/4885ALDH1A1 2235/4885

“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.