SCHEMBL16147386

SCHEMBL16147386

COC(=O)c1ccc(NC(=O)c2cc(C(C)(C)C)ccc2O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 3/20 0.48
▸ PLG P00747 2/20 0.48
▸ KLK6 Q92876 2/20 0.48
▸ NR1H4 Q96RI1 2/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44

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
SCHEMBL22153047 0.89 TMPRSS4 (0.51) KLK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL16147527 0.88 PLG (0.48) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147707 0.88 PPARG (0.56) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16148216 0.87 MAPT (0.53) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147742 0.87 ALDH1A1 (0.56) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147244 0.87 KLK1 (0.47) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147769 0.87 PLG (0.47) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147489 0.85 TMPRSS4 (0.47) KLK1PLGKLK6KLKB1ALDH1A1
SCHEMBL16147423 0.84 TRPV1 (0.46) KLK1PLGKLK6NR1H4KLKB1
SCHEMBL16147314 0.83 PLG (0.47) KLK1PLGKLK6NR1H4KLKB1

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-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 — — US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 — — 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS KLK1 1921/4885PLG 1531/4885KLK6 2039/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS KLK1 1921/4885PLG 1531/4885KLK6 2039/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS KLK1 1921/4885PLG 1531/4885KLK6 2039/4885

“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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