SCHEMBL7211157

SCHEMBL7211157

CC(C)(C)OC(=O)c1c(N)sc2c1C[C@@H](CN1C(=O)c3ccccc3C1=O)N(CCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ADORA1 P30542 11/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
P2RX3 P56373 1/20 0.37
GRM6 O15303 1/20 0.37
KDM4E B2RXH2 1/20 0.33
CASP3 P42574 1/20 0.33
NT5E P21589 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7735420 0.87 GAA (0.50) POLBGAAADORA1MAPTMEN1
SCHEMBL5772973 0.85 MAPT (0.41) GAAADORA1MAPTMEN1KMT2A
SCHEMBL5837710 0.84 ADORA1 (0.43) POLBGAAADORA1MAPTMEN1
SCHEMBL6049995 0.84 ADORA1 (0.43) POLBGAAADORA1MAPTMEN1
SCHEMBL7211154 0.82 ADORA1 (0.38) POLBGAAADORA1MAPTMEN1
SCHEMBL5770553 0.82 ADORA1 (0.38) POLBGAAADORA1MAPTMEN1
SCHEMBL5771598 0.82 ADORA1 (0.38) POLBGAAADORA1MAPTMEN1
SCHEMBL5770549 0.82 ADORA1 (0.38) POLBGAAADORA1MAPTMEN1
SCHEMBL5838565 0.81 ADORA1 (0.47) POLBGAAADORA1MAPTMEN1
SCHEMBL5837958 0.78 ADORA1 (0.48) POLBGAAADORA1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 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 (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-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS POLB 4427/4885GAA 618/4885ADORA1 1290/4885

“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.