SCHEMBL16147355

SCHEMBL16147355

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ TMPRSS4 Q9NRS4 4/20 0.50
▸ PYGL P06737 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ P2RX1 P51575 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KCNMA1 Q12791 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL16147726 0.91 MAPT (0.52) MAPTTMPRSS4PYGLCYP1A2CYP3A4
SCHEMBL16148216 0.90 MAPT (0.53) MAPTPYGLKDM4EKMT2AMEN1
SCHEMBL22153047 0.87 TMPRSS4 (0.51) MAPTTMPRSS4P2RX1KDM4EKMT2A
SCHEMBL16147250 0.86 TMPRSS4 (0.56) MAPTTMPRSS4CYP1A2CYP3A4CYP2C9
SCHEMBL22153046 0.86 NOTUM (0.51) MAPTTMPRSS4P2RX1KDM4EKMT2A
SCHEMBL16147423 0.84 TRPV1 (0.46) MAPTTMPRSS4PYGLP2RX1KDM4E
SCHEMBL16148023 0.82 MAPT (0.49) MAPTPYGLCYP1A2CYP3A4CYP2C9
SCHEMBL16147456 0.82 KCNMA1 (0.67) MAPTTMPRSS4PYGLP2RX1KDM4E
SCHEMBL17498479 0.82 TMPRSS4 (0.61) TMPRSS4P2RX1KMT2AMEN1NPC1
SCHEMBL16147489 0.81 TMPRSS4 (0.47) MAPTTMPRSS4CYP1A2CYP2C19P2RX1

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 8 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-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
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 MAPT 2394/4885TMPRSS4 2431/4885PYGL 129/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS MAPT 2394/4885TMPRSS4 2431/4885PYGL 129/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS MAPT 2394/4885TMPRSS4 2431/4885PYGL 129/4885

“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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