SCHEMBL16147489

SCHEMBL16147489

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 5/20 0.47
▸ PLG P00747 2/20 0.46
▸ KLK1 P06870 2/20 0.46
▸ KLK6 Q92876 2/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ P4HB P07237 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ P2RX1 P51575 2/20 0.43

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
SCHEMBL16148752 0.89 NR1H4 (0.52) TMPRSS4PLGKLK1KLK6KLKB1
SCHEMBL16147244 0.86 KLK1 (0.47) TMPRSS4PLGKLK1KLK6KLKB1
SCHEMBL16147423 0.86 TRPV1 (0.46) TMPRSS4PLGKLK1KLK6KLKB1
SCHEMBL16147386 0.85 KLK1 (0.48) PLGKLK1KLK6KLKB1RAB9A
SCHEMBL16147527 0.85 PLG (0.48) PLGKLK1KLK6KLKB1RAB9A
SCHEMBL16147742 0.84 ALDH1A1 (0.56) TMPRSS4PLGKLK1KLK6KLKB1
SCHEMBL16148216 0.84 MAPT (0.53) PLGKLK1KLK6KLKB1RAB9A
SCHEMBL16147769 0.84 PLG (0.47) PLGKLK1KLK6KLKB1RAB9A
SCHEMBL16148223 0.83 NOTUM (0.47) NOTUMP4HBKDM4EALDH1A1LMNA
SCHEMBL22153047 0.82 TMPRSS4 (0.51) TMPRSS4KLK1KDM4EALDH1A1MAPT

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 7 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
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 TMPRSS4 2431/4885PLG 1531/4885KLK1 1921/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS TMPRSS4 2431/4885PLG 1531/4885KLK1 1921/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS TMPRSS4 2431/4885PLG 1531/4885KLK1 1921/4885

“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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