Sugi Predict

Sugi Predict / Compounds / SCHEMBL696042

SCHEMBL696042

SCHEMBL696042

COC(=O)c1ccc(Oc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ ESRRA P11474 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ CFTR P13569 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PGR P06401 1/20 0.42

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
SCHEMBL695916 0.89 XDH (0.48) XDHTDP1MGLLCFTRHPGD
SCHEMBL28665319 0.87 AR (0.51) ESRRATDP1CFTRSMN1; SMN2MAPT
SCHEMBL695791 0.86 POLB (0.54) TDP1MGLLPDK2POLBMAPK14
SCHEMBL18970462 0.85 MGLL (0.44) ESRRAMGLLHPGDPDK1PDK2
SCHEMBL22979384 0.83 KDM4E (0.51) ESRRACFTRHPGDEPHX2KDM4E
SCHEMBL7765911 0.82 XDH (0.55) XDHTDP1HPGDSMN1; SMN2MAPT
SCHEMBL18648449 0.81 MAOB (0.54) HPGDSMN1; SMN2PDK1PDK2PDK3
SCHEMBL5830929 0.81 ESRRA (0.45) ESRRACFTRHPGDEPHX2MAPT
SCHEMBL23386692 0.81 XDH (0.51) XDHTDP1HPGDSMN1; SMN2KDM4E
SCHEMBL4446937 0.81 HPGD (0.52) XDHTDP1HPGDSMN1; SMN2MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073468-B Preparation and application of imidazopyrazines BTK inhibitor 药雅科技(上海)有限公司 2023-12-22 — — CN disclosed
CN-115073468-A Preparation and application of imidazopyrazine BTK inhibitor 药雅科技(上海)有限公司 2022-09-20 — — CN disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 — — US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 — — US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 — — US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 — — 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 (4 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 XDH 2559/4885ESRRA 645/4885TDP1 1208/4885
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E XDH 3403/4885ESRRA 4216/4885TDP1 3742/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 XDH 2674/4885ESRRA 303/4885TDP1 1874/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 XDH 976/4885ESRRA 2543/4885TDP1 4000/4885

“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.