Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL295415

CS(=O)(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL363726 0.83 TP53 (0.48) TP53ALDH1A1KDM4ETSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29191931 0.83 EPHX2 (0.40) TSHREPHX2DPP4DPP7
Trifluoroacetic Acid SCHEMBL2680032 0.83 DPP4 (0.33) DPP4DPP7
Hydrochloric Acid SCHEMBL928103 0.81 TP53 (0.47) TP53ALDH1A1KDM4ETSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6039700 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2EPHX2MAPT
Trifluoroacetic Acid SCHEMBL19857506 0.79 EPHX2 (0.43) ALDH1A1KDM4ETSHREPHX2MAPT
Trifluoroacetic Acid SCHEMBL30240747 0.79 SMYD3 (0.36) NPSR1DPP4DPP7
Trifluoroacetic Acid SCHEMBL27897942 0.78 DPP7 (0.37) ALDH1A1DPP4DPP7
Trifluoroacetic Acid SCHEMBL6969167 0.78 TP53 (0.44) TP53ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL28836025 0.77 TP53 (0.46) TP53ALDH1A1KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150612-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-08-10 — — WO disclosed
WO-2023141571-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-07-27 — — WO disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 — — EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 — — US disclosed
EP-3390384-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS Astex Therapeutics Limited (GB) 2018-10-24 — — EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 — — WO disclosed
CN-101400680-B Spiroindolinone derivatives HOFFMANN LA ROCHE 2012-04-25 — — CN disclosed
EP-2152714-B1 SPIROINDOLINONE DERIVATIVES AS MDM2-p53 INHIBITORS HOFFMANN LA ROCHE (CH) 2012-03-14 — — EP disclosed
US-7834179-B2 6',7',8',9'-tetrahydro spiro[3H-indole-3,7'-(2H-pyrido[2,1-c][1,2,4]triazine)]-2,3'(1H)-dione compounds; small molecule inhibitors of the MDM2-p53 interaction HOFFMANN-LA ROCHE INC. (US) 2010-11-16 — — US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 — — EP disclosed
US-20080293723-A1 SPIROINDOLINONE DERIVATIVES LIU JIN-JUN 2008-11-27 — — US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 — — US disclosed
CN-101044121-A 4-aminopyrimidine-5-one HOFFMANN LA ROCHE (CH) 2007-09-26 — — CN disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 — — WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 — — US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 — — US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 — — US disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 — — 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS TP53 30/4885ALDH1A1 156/4885KDM4E 2117/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 TP53 89/4885ALDH1A1 915/4885KDM4E 191/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 TP53 25/4885ALDH1A1 65/4885KDM4E 3281/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS TP53 4290/4885ALDH1A1 123/4885KDM4E 1992/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 TP53 72/4885ALDH1A1 1191/4885KDM4E 340/4885
US-20080293723-A1 SPIROINDOLINONE DERIVATIVES RB1, SIRT3, AR TP53 35/4885ALDH1A1 87/4885KDM4E 2715/4885

“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.