SCHEMBL6317855

SCHEMBL6317855

Cc1csc(C(=O)O)c1NC(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 5/20 0.46
PTPN2 P17706 2/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTR1A P08908 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
GPR35 Q9HC97 2/20 0.40
PTPRB P23467 1/20 0.39
PTPN6 P29350 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
SCHEMBL4785611 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL23295963 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL3715260 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL9098700 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL18363003 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL4958017 0.74 POLB (0.49) ALDH1A1KMT2AL3MBTL1MAPTPKM
Hydrochloric Acid SCHEMBL31538653 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL7028014 0.72 CYP1A2 (0.47) ALDH1A1KMT2AL3MBTL1MAPTPKM
SCHEMBL7902025 0.72 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1MAPTATM
SCHEMBL4795691 0.72 KMT2A (0.50) ALDH1A1KMT2AL3MBTL1MAPTPKM

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 8 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

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 ALDH1A1 3669/4885KMT2A 3317/4885L3MBTL1 3149/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885KMT2A 3329/4885L3MBTL1 3144/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885KMT2A 3051/4885L3MBTL1 3375/4885

“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.