SCHEMBL7583044

SCHEMBL7583044

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.41
▸ NR1D1 P20393 2/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ ACE P12821 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL31569184 0.87 PTPN1 (0.47) PTPN1HDAC8NR1D1NAMPTACE
SCHEMBL29443079 0.83 PTPN1 (0.65) PTPN1HDAC8NR1D1NAMPT
SCHEMBL21490343 0.83 PTPN1 (0.65) PTPN1HDAC8NR1D1NAMPT
SCHEMBL2737917 0.83 PTPN1 (0.65) PTPN1HDAC8NR1D1NAMPT
SCHEMBL14067913 0.80 ACE (0.59) PTPN1HDAC8ACE
SCHEMBL66872 0.80 ACE (0.59) PTPN1HDAC8ACE
SCHEMBL2080858 0.80 ACE (0.59) PTPN1HDAC8ACE
SCHEMBL29401053 0.80 ACE (0.59) PTPN1HDAC8ACE
SCHEMBL66871 0.80 ACE (0.59) PTPN1HDAC8ACE
SCHEMBL29707284 0.80 ACE (0.59) PTPN1HDAC8ACE

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
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 — — WO disclosed
US-20020072604-A1 Melanocortin receptor ligands CARPINO PHILIP A (US) 2002-06-13 — — 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-20020072604-A1 Melanocortin receptor ligands MC1R, MC4R, MC3R PTPN1 1296/4885HDAC8 3340/4885NR1D1 184/4885

“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.

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