Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3752134

CN(C)C1(CN)CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ CPB2 Q96IY4 6/20 0.37
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 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 SCHEMBL3757015 0.98 LMNA (0.41) LMNACPB2USP2ALDH1A1CYP1A2
SCHEMBL2836174 0.80 LMNA (0.37) LMNAOPRM1OPRD1
SCHEMBL5015978 0.78 LMNA (0.40) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL284393 0.78 LMNA (0.40) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL25530903 0.78 LMNA (0.40) LMNAUSP2ALDH1A1CYP1A2TSHR
Hydrochloric Acid SCHEMBL25215294 0.76 LMNA (0.39) LMNAUSP2ALDH1A1CYP1A2TSHR
Hydrochloric Acid SCHEMBL19926062 0.76 LMNA (0.39) LMNAUSP2ALDH1A1CYP1A2TSHR
SCHEMBL5022562 0.76 — —
Hydrochloric Acid SCHEMBL34473465 0.74 LMNA (0.32) LMNA
Trifluoroacetic Acid SCHEMBL3752131 0.73 CPB2 (0.32) CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 — — US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 — — EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 — — US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 — — EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 — — 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 (1 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D LMNA 1334/4885CPB2 4733/4885USP2 4324/4885

“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.