SCHEMBL6315778

SCHEMBL6315778

CC(=O)NCC1OCCc2c1sc(NC(=O)C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
CXCR2 P25025 10/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
UBE2N P61088 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5837475 0.88 PTPN1 (0.40) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837100 0.88 CXCR2 (0.36) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5838593 0.87 PTPN2 (0.39) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL6317021 0.83 ADORA1 (0.35) CXCR2ALDH1A1HPGDKDM4EMAPT
SCHEMBL5838437 0.83 CTSS (0.38) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5837700 0.82 PTPN2 (0.41) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837892 0.82 HPGD (0.43) PTPN2PTPN1PTPRBALDH1A1HPGD
SCHEMBL5838347 0.82 GPR119 (0.39) PTPN2PTPN1PTPRBCXCR2ALDH1A1
SCHEMBL5837704 0.81 CXCR2 (0.39) CXCR2ALDH1A1KDM4EMAPTLMNA
SCHEMBL5770445 0.81 PTPN1 (0.42) PTPN1CXCR2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES 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 (1 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA PTPN2 9/4885PTPN1 7/4885PTPRB 25/4885

“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.