Sugi Predict

Sugi Predict / Compounds / SCHEMBL4094087

SCHEMBL4094087

SCHEMBL4094087

C[C@H](O)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ UGT2B7 P16662 1/20 0.38
▸ SLC6A3 Q01959 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL1154665 1.00 CES2 (0.46) CES2CES1CA12CA1CA9
SCHEMBL1321039 1.00 CES2 (0.46) CES2CES1CA12CA1CA9
SCHEMBL13711148 0.85 CES2 (0.36) CES2CES1UGT2B7MEN1KMT2A
SCHEMBL28989624 0.84 GABRA1 (0.35) CES2CES1UGT2B7MEN1KMT2A
SCHEMBL2422394 0.84 GABRA1 (0.35) CES2CES1UGT2B7MEN1KMT2A
SCHEMBL1835863 0.84 EPAS1 (0.43) CES2CES1UGT2B7SLC6A2EPAS1
SCHEMBL1834420 0.84 EPAS1 (0.43) CES2CES1UGT2B7SLC6A2EPAS1
SCHEMBL1295024 0.80 PDE2A (0.41) CES2CES1
SCHEMBL31560879 0.80 PDE2A (0.41) CES2CES1
SCHEMBL27745319 0.80 ALDH1A1 (0.39) CES2CES1UGT2B7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900657-B1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-03-11 — — EP disclosed
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 — — EP disclosed
US-9963446-B2 Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-05-08 — — US disclosed
US-9931323-B2 Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2018-04-03 — — US disclosed
CN-106573927-A Oxyclohepten-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 豪夫迈·罗氏有限公司 2017-04-19 — — CN disclosed
EP-3119775-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2017-01-25 — — EP disclosed
US-20170001997-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-01-05 — — US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 — — US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 — — US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 — — US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 — — US disclosed
EP-2790508-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2014-10-22 — — EP disclosed
CN-104010503-A Fungicidal compositions SYNGENTA PARTICIPATIONS AG 2014-08-27 — — CN disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 — — US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 — — WO disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 — — US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 — — US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 — — US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 — — WO disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 — — 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 (5 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CES2 1375/4885CES1 851/4885CA12 4884/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CES2 103/4885CES1 403/4885CA12 2495/4885
US-20170001997-A1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CES2 3080/4885CES1 2253/4885CA12 4433/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT CES2 103/4885CES1 403/4885CA12 2495/4885
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CES2 1781/4885CES1 1537/4885CA12 4510/4885

“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.