Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2995753

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C(C)C)ccc4Cl)=NC3=O)cc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ P2RY12 Q9H244 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HDAC4 P56524 2/20 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
Trifluoroacetic Acid SCHEMBL5050802 1.00 CISD1 (0.35) CISD1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4587399 0.95 ALDH1A1 (0.38) CISD1ALDH1A1NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2991044 0.89 DHODH (0.38) CISD1NPC1RAB9AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5049812 0.89 DHODH (0.38) CISD1NPC1RAB9AMEN1KMT2A
SCHEMBL4586480 0.87 IGF1R (0.37) CISD1ALDH1A1NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4089207 0.84 DYRK3 (0.39) CISD1ALDH1A1NPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL4089200 0.84 DYRK3 (0.39) CISD1ALDH1A1NPC1RAB9AMEN1
SCHEMBL4586165 0.83 RAB9A (0.37) CISD1NPC1RAB9ASMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL2988374 0.83 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
Trifluoroacetic Acid SCHEMBL5048553 0.83 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 — — US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 — — EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 — — EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 — — EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — 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 (2 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885ALDH1A1 4089/4885NPC1 2040/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885ALDH1A1 2461/4885NPC1 2692/4885

“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.