Sugi Predict

Sugi Predict / Compounds / SCHEMBL16110337

SCHEMBL16110337

SCHEMBL16110337

CCOC(=O)/C(=C/N(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP11B1 P15538 3/20 0.48
▸ CYP11B2 P19099 3/20 0.48
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ LSS P48449 1/20 0.39

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
SCHEMBL16110338 1.00 NPSR1 (0.51) NPSR1CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL15084631 0.84 NPSR1 (0.55) NPSR1CYP1A1CYP1B1MAOBEPHX2
SCHEMBL16109884 0.84 MAPT (0.51) NPSR1MAOBCES2CES1MAPT
SCHEMBL16109883 0.84 MAPT (0.51) NPSR1MAOBCES2CES1MAPT
SCHEMBL23842604 0.84 DHODH (0.45) NPSR1MAOBCES2CES1MAPT
SCHEMBL11377167 0.84 DHODH (0.45) NPSR1MAOBCES2CES1MAPT
SCHEMBL3408555 0.84 NPSR1 (0.55) NPSR1CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL3408557 0.84 NPSR1 (0.55) NPSR1CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL27919521 0.83 NPSR1 (0.53) NPSR1CYP1A1CYP1B1MAOBEPHX2
SCHEMBL10731278 0.81 CYP11B1 (0.49) CYP11B1CYP11B2MAPTLMNAALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 — — US disclosed
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA CALIFORNIA, INC. 2018-07-05 — — US disclosed
EP-3336084-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2018-06-20 — — EP disclosed
US-9944626-B2 6-(5-hydroxy-1H-pyrazol-1-YL)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 — — US disclosed
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA CALIFORNIA, INC. 2017-09-28 — — US disclosed
US-9708296-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-18 — — US disclosed
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 — — US disclosed
US-9345713-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 — — US disclosed
EP-2978752-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-02-03 — — EP disclosed
US-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-08-13 — — US disclosed
US-9040522-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-26 — — US disclosed
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-02 — — US disclosed
WO-2014160810-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-02 — — 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 (6 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-20150224113-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD SIRT1, SIRT3, SIRT5 NPSR1 3485/4885CYP11B1 648/4885CYP11B2 545/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 NPSR1 3544/4885CYP11B1 230/4885CYP11B2 288/4885
US-20170275271-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 NPSR1 3544/4885CYP11B1 230/4885CYP11B2 288/4885
US-20140296200-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 NPSR1 3544/4885CYP11B1 230/4885CYP11B2 288/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 NPSR1 3544/4885CYP11B1 230/4885CYP11B2 288/4885
US-20160251337-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 NPSR1 3544/4885CYP11B1 230/4885CYP11B2 288/4885

“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.