SCHEMBL16147250

SCHEMBL16147250

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 7/20 0.56
▸ PDK1 Q15118 2/20 0.55
▸ PDK2 Q15119 2/20 0.55
▸ PDK3 Q15120 2/20 0.55
▸ PDK4 Q16654 2/20 0.55
▸ P2RX1 P51575 4/20 0.49
▸ P2RX4 Q99571 3/20 0.49
▸ P2RX7 Q99572 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL16147742 0.90 ALDH1A1 (0.56) TMPRSS4PDK1PDK2PDK3PDK4
SCHEMBL22153047 0.87 TMPRSS4 (0.51) TMPRSS4P2RX1P2RX4P2RX7MAPT
SCHEMBL16147800 0.87 TMPRSS4 (0.59) TMPRSS4PDK1PDK2PDK3PDK4
SCHEMBL16147355 0.86 MAPT (0.52) TMPRSS4P2RX1MAPTSMN1; SMN2CYP1A2
SCHEMBL22153046 0.86 NOTUM (0.51) TMPRSS4P2RX1P2RX4P2RX7MAPT
SCHEMBL16147685 0.86 PDK1 (0.49) TMPRSS4PDK1PDK2PDK3PDK4
SCHEMBL16147626 0.85 TAS1R3 (0.55) TMPRSS4PDK1PDK2PDK3PDK4
SCHEMBL16148001 0.84 KCNMA1 (0.59) TMPRSS4PDK1PDK2PDK3PDK4
SCHEMBL16148958 0.83 PDK1 (0.50) PDK1PDK2PDK3PDK4MAPT
SCHEMBL16147471 0.83 RAB9A (0.53) TMPRSS4PDK1PDK2PDK3PDK4

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 2431/4885PDK1 25/4885PDK2 38/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS TMPRSS4 2431/4885PDK1 25/4885PDK2 38/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS TMPRSS4 2431/4885PDK1 25/4885PDK2 38/4885

“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.

Send feedback