SCHEMBL6310632

SCHEMBL6310632

O=C(CN1C(=O)c2ccccc2C1=O)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6313097 0.84 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL6310340 0.76 LMNA (0.49) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL6319180 0.76 RAB9A (0.45) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6318279 0.75 CFD (0.43) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL6318762 0.74 HSD17B10 (0.45) ALDH1A1KDM4EMAPTRAB9AHSD17B10
SCHEMBL6320149 0.73 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL6318495 0.72 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CYP1A2GAA
SCHEMBL6320140 0.72 GRIN1 (0.41) ALDH1A1CYP2C9CYP2C19
SCHEMBL6317833 0.71 NPSR1 (0.55) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6316701 0.71 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

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