Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3540769

Fc1cc(Cl)ccc1Sc1ccccc1C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.40
▸ SLC6A2 P23975 7/20 0.38
▸ SLC6A4 P31645 7/20 0.38
▸ SLC6A3 Q01959 6/20 0.38
▸ HTR1A P08908 6/20 0.38
▸ SHMT1 P34896 1/20 0.38
▸ SHMT2 P34897 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ RBP4 P02753 2/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ KDM1A O60341 1/20 0.35

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 SCHEMBL3544758 0.90 HTR1A (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3538723 0.90 SLC6A2 (0.45) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL3546218 0.88 HTR2C (0.41) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL29932086 0.81 OPRL1 (0.43) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL3544105 0.80 HTR1A (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3540773 0.79 RBP4 (0.40) RBP4
SCHEMBL3547302 0.78 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR1AKCNH2
SCHEMBL3546875 0.78 HTR1A (0.55) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3538396 0.78 SLC6A2 (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL5742637 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 — — US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 — — US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 — — EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 — — 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 (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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 HTR2C 4/4885SLC6A2 84/4885SLC6A4 14/4885

“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.