SCHEMBL6310351

SCHEMBL6310351

COc1ccccc1NC(=O)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6310309 0.88 KMT2A (0.53) KMT2APKMRAB9ANPC1ALDH1A1
SCHEMBL6318279 0.83 CFD (0.43) RAB9ANPC1LMNAALDH1A1MAPT
SCHEMBL6311917 0.82 SMN1; SMN2 (0.53) GRIK1KMT2ATP53PKMRAB9A
SCHEMBL6319180 0.82 RAB9A (0.45) GRIK1KMT2ATP53RAB9ANPC1
SCHEMBL6319032 0.82 GRIK1 (0.52) GRIK1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6311429 0.82 KDM4E (0.56) GRIK1KMT2APKMRAB9ANPC1
SCHEMBL6311192 0.82 MEN1 (0.54) KMT2ATP53RAB9ANPC1ALDH1A1
SCHEMBL6319363 0.80 KMT2A (0.43) KMT2ATP53RAB9ANPC1ALDH1A1
SCHEMBL6310340 0.80 LMNA (0.49) KMT2ARAB9ANPC1LMNAALDH1A1
SCHEMBL6318495 0.78 ALDH1A1 (0.44) KMT2ARAB9ANPC1ALDH1A1GAA

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 GRIK1 1342/4885HDAC1 1647/4885HDAC6 2411/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA GRIK1 1417/4885HDAC1 1701/4885HDAC6 2420/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 GRIK1 1500/4885HDAC1 1370/4885HDAC6 2426/4885

“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.