SCHEMBL6311192

SCHEMBL6311192

COc1cc(NC(=O)NCc2cc(C(=O)O)c(NC(=O)C(=O)O)s2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6310351 0.82 GRIK1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6311917 0.81 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6319180 0.81 RAB9A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6310309 0.81 KMT2A (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6318495 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6320125 0.78 GPR35 (0.49) MEN1KMT2AMAPT
SCHEMBL6316701 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6311622 0.77 HTT (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6311379 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL6318611 0.76 GRIN2C (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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 MEN1 3299/4885KMT2A 3317/4885ALDH1A1 3669/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA MEN1 3307/4885KMT2A 3329/4885ALDH1A1 3737/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 MEN1 4004/4885KMT2A 3051/4885ALDH1A1 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.