Sugi Predict

Sugi Predict / Compounds / SCHEMBL401353

SCHEMBL401353

SCHEMBL401353

O=C(C#Cc1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ VCP P55072 1/20 0.46
▸ FFAR1 O14842 4/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL28499187 0.82 FFAR1 (0.47) FFAR1APPCES1
SCHEMBL28500241 0.80 CES2 (0.45) FFAR1CES1
SCHEMBL6325445 0.80 VCP (0.47) VCPFFAR1CES1FFAR4MAPT
SCHEMBL28501126 0.80 GFER (0.48) GFER
SCHEMBL29961896 0.80 GFER (0.48) GFER
SCHEMBL1317265 0.79 NPSR1 (0.55) NPSR1NPC1RAB9AHSP90AA1AGTR1
SCHEMBL28506510 0.78 FFAR1 (0.49) VCPFFAR1FFAR4
SCHEMBL29961183 0.78 GRM5 (0.44) —
SCHEMBL28500263 0.78 GRM5 (0.44) —
SCHEMBL29961750 0.78 FFAR1 (0.49) VCPFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174877-B Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2022-07-29 — — CN claimed
CN-112174877-A Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2021-01-05 — — CN claimed
CN-114409501-B Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2024-05-10 — — CN disclosed
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 — — CN disclosed
CN-115197108-A Preparation method of gamma-ketosulfone compound 南华大学 2022-10-18 — — CN disclosed
CN-112174877-B Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2022-07-29 — — CN disclosed
CN-114409501-A Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2022-04-29 — — CN disclosed
CN-110372564-B 2-amino-4-acyl pyrrole compound and preparation method thereof 嘉兴学院 2021-07-06 — — CN disclosed
CN-112174877-A Preparation method of 2, 4-diaryl-6-trifluoromethylpyridine derivative 华侨大学 2021-01-05 — — CN disclosed
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 — — EP disclosed
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 — — EP disclosed
US-6906196-B2 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles ONCONOVA THERAPEUTICS, INC. (US) 2005-06-14 — — US disclosed
EP-1436285-A4 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES ONCONOVA THERAPEUTICS INC (US) 2004-12-15 — — EP disclosed
EP-1436285-A2 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES Onconova Therapeutics, Inc. (US) 2004-07-14 — — EP disclosed
US-6706927-B2 INTERMEDIATES IN PREPARATION OF 1,5-DIARYLPYRAZOLE ANTIINFLAMMATORY AGENTS ONCONOVA THERAPEUTICS, INC. 2004-03-16 — — US disclosed
US-20030199707-A1 ALKYNE KETONES ONCONOVA THERAPEUTICS, INC. 2003-10-23 — — US disclosed
US-6579988-B2 Condensation cyclization of an alkyne and a para-sulfone or sulfonamide phenyl hydrazine ONCONOVA THERAPEUTICS, INC. 2003-06-17 — — US disclosed
US-20030109709-A1 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles ONCONOVA THERAPEUTICS, INC. 2003-06-12 — — US disclosed
US-20030096853-A1 PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES ONCONOVA THERAPEUTICS, INC. 2003-05-22 — — US disclosed
WO-2003024958-A2 PROCESSES FOR THE PREPARATION OF 1,5-DIARYL-3-SUBSTITUTED-PYRAZOLES ONCONOVA THERAPEUTICS, INC. (US) 2003-03-27 — — 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-20030096853-A1 PROCESSES FOR THE PREPARATION OF 1,5-DIARYLPYRAZOLES CBR1, CYP1A1, CYP1B1 NPSR1 1154/4885NPC1 2121/4885RAB9A 2545/4885
US-20030199707-A1 ALKYNE KETONES CBR1, CBR3, CYC1 NPSR1 1594/4885NPC1 911/4885RAB9A 3012/4885
US-20030109709-A1 Processes for the preparation of 1,5-diaryl-3-substituted-pyrazoles CYP1B1, CYP1A1, CYP2E1 NPSR1 3188/4885NPC1 1230/4885RAB9A 2766/4885

“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.