Sugi Predict

Sugi Predict / Compounds / SCHEMBL67228

SCHEMBL67228

SCHEMBL67228

O=C(O)CCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.53
▸ TBXA2R P21731 3/20 0.50
▸ FOLH1 Q04609 3/20 0.48
▸ CYP19A1 P11511 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ EPHX2 P34913 5/20 0.44
▸ CACNA1F O60840 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ OPRM1 P35372 1/20 0.43

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
SCHEMBL7323763 0.94 CACNA1B (0.49) CACNA1BTBXA2RFOLH1CYP19A1HTT
SCHEMBL67079 0.88 TBXA2R (0.58) CACNA1BTBXA2RFOLH1CACNA1FHTR1A
SCHEMBL67664 0.86 TBXA2R (0.65) CACNA1BTBXA2RFOLH1CACNA1FHTR1A
SCHEMBL641514 0.84 FOLH1 (0.46) TBXA2RFOLH1FFAR1HTTHTR1A
SCHEMBL2862307 0.84 CACNA1B (0.54) CACNA1BTBXA2RCYP19A1EPHX2CACNA1F
SCHEMBL9538154 0.84 CACNA1B (0.50) CACNA1BTBXA2RCYP19A1FFAR1EPHX2
SCHEMBL21358345 0.84 FOLH1 (0.46) TBXA2RFOLH1FFAR1HTTHTR1A
SCHEMBL8109949 0.84 CACNA1B (0.50) CACNA1BTBXA2RCYP19A1EPHX2CACNA1F
SCHEMBL30758302 0.83 TBXA2R (0.42) CACNA1BTBXA2RFOLH1CYP19A1FFAR1
SCHEMBL29791196 0.83 TBXA2R (0.42) CACNA1BTBXA2RFOLH1CYP19A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652169-A Preparation method of 4- (4-fluorophenyl) -4- (2-fluorophenyl) butyric acid 湖南玉新药业有限公司 2024-09-17 — — CN claimed
CN-111196781-B Improved method for preparing pentafluoride 湖南中南制药有限责任公司 2023-07-28 — — CN claimed
CN-118652169-A Preparation method of 4- (4-fluorophenyl) -4- (2-fluorophenyl) butyric acid 湖南玉新药业有限公司 2024-09-17 — — CN disclosed
CN-117510322-A Preparation method of 4- (4-fluorophenyl) -4- (2-fluorophenyl) butyric acid 湖南中南制药有限责任公司 2024-02-06 — — CN disclosed
CN-111196781-B Improved method for preparing pentafluoride 湖南中南制药有限责任公司 2023-07-28 — — CN disclosed
CN-111196781-B Improved method for preparing pentafluoride 湖南中南制药有限责任公司 2023-07-28 — — CN disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 — — US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 — — US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 — — EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 — — WO disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 — — EP disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 — — WO disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 — — WO disclosed
EP-0623605-A2 Substituted piperazines as antiretroviral medicaments BAYER AG (DE) 1994-11-09 — — EP 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-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C CACNA1B 4/4885TBXA2R 796/4885FOLH1 3237/4885
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885TBXA2R 572/4885FOLH1 2052/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C CACNA1B 4/4885TBXA2R 796/4885FOLH1 3237/4885

“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.