Sugi Predict

Sugi Predict / Compounds / SCHEMBL3595801

SCHEMBL3595801

SCHEMBL3595801

CC(C)(C)OC(=O)c1ccc(C=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 3/20 0.36
▸ AOX1 Q06278 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ ALDH5A1 P51649 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL19699322 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24
SCHEMBL27980562 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24
SCHEMBL360471 0.83 ALDH1A1 (0.42) ALDH1A1HPGDAOX1TRIM24ALDH5A1
SCHEMBL3594737 0.82 TUBB1 (0.37) ALDH1A1SMN1; SMN2HPGDMAPTCYP2C19
SCHEMBL3589296 0.82 TUBB1 (0.37) ALDH1A1SMN1; SMN2HPGDMAPTCYP2C19
SCHEMBL3589290 0.82 TUBB1 (0.37) ALDH1A1SMN1; SMN2HPGDMAPTCYP2C19
SCHEMBL1498919 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24
SCHEMBL20379139 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24
SCHEMBL15878940 0.81 ALDH1A3 (0.40) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24
SCHEMBL19695468 0.81 HPGD (0.48) ALDH1A1SMN1; SMN2HPGDAOX1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 — — CN disclosed
US-9725438-B2 Substituted phenylazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9725438-B2 Substituted phenylazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-20160090375-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-31 — — US disclosed
US-20160090375-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-31 — — US disclosed
US-20160081993-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-24 — — US disclosed
US-20160081993-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-24 — — US disclosed
US-9233958-B2 Substituted phenylazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-12 — — US disclosed
US-9233958-B2 Substituted phenylazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-12 — — US disclosed
US-20140357675-A1 Substituted Phenylazole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-04 — — US disclosed
US-20140357675-A1 Substituted Phenylazole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-04 — — US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 — — US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 — — US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 — — US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 — — EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 — — WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 — — US 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885SMN1; SMN2 2207/4885HPGD 510/4885
US-20160081993-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE IAPP, SLC5A1, GPR119 ALDH1A1 422/4885SMN1; SMN2 1928/4885HPGD 2014/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885SMN1; SMN2 2392/4885HPGD 573/4885
US-20160090375-A1 SUBSTITUTED PHENYLAZOLE DERIVATIVE IAPP, SLC5A1, GPR119 ALDH1A1 422/4885SMN1; SMN2 1928/4885HPGD 2014/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885SMN1; SMN2 2392/4885HPGD 573/4885
US-20140357675-A1 Substituted Phenylazole Derivatives IAPP, SLC5A1, GPR119 ALDH1A1 407/4885SMN1; SMN2 1910/4885HPGD 2122/4885

“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.