SCHEMBL16147354

SCHEMBL16147354

CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(C(=O)O)cc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 9/20 0.60
▸ PPARG P37231 6/20 0.60
▸ PTGFR P43088 1/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ KLK1 P06870 3/20 0.49
▸ PLG P00747 2/20 0.49
▸ KLK6 Q92876 2/20 0.49
▸ KLKB1 P03952 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ TAS1R2 Q8TE23 1/20 0.49
▸ SERPINE1 P05121 1/20 0.48
▸ TMPRSS4 Q9NRS4 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ ESRRG P62508 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
SCHEMBL16147244 0.88 KLK1 (0.47) NR1H4PPARGPTGFRKLK1PLG
SCHEMBL16147707 0.86 PPARG (0.56) NR1H4PPARGEPHX2KLK1PLG
SCHEMBL16148635 0.86 NR1H4 (0.52) NR1H4PPARGKLK1PLGKLK6
SCHEMBL16148752 0.86 NR1H4 (0.52) NR1H4PPARGEPHX2KLK1PLG
SCHEMBL16147507 0.85 NR1H4 (0.57) NR1H4PPARGEPHX2KLK1PLG
SCHEMBL16148214 0.85 NR1H4 (0.51) NR1H4PPARGKLK1PLGKLK6
SCHEMBL16149461 0.84 NR1H4 (0.50) NR1H4PPARGPTGFRKLK1PLG
SCHEMBL16147616 0.83 NR1H4 (0.58) NR1H4PPARGPPARA
SCHEMBL22153049 0.83 NR1H4 (0.69) NR1H4PPARGEPHX2KLK1PLG
SCHEMBL16147579 0.81 PLG (0.68) NR1H4EPHX2KLK1PLGKLK6

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 NR1H4 527/4885PPARG 359/4885PTGFR 1660/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS NR1H4 527/4885PPARG 359/4885PTGFR 1660/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS NR1H4 527/4885PPARG 359/4885PTGFR 1660/4885

“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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