Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3548477

Cc1ccc(Sc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 6/20 0.43
DRD5 P21918 4/20 0.43
TMEM97 Q5BJF2 4/20 0.43
ADRB3 P13945 3/20 0.43
ADRA2B P18089 3/20 0.43
DRD1 P21728 3/20 0.43
ADRA1B P35368 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR2C P28335 4/20 0.39
KDM1A O60341 1/20 0.38
HTR1A P08908 5/20 0.37
HTR3A P46098 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC6A2 P23975 2/20 0.37
AGTR1 P30556 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 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
SCHEMBL3541652 0.92 HTR2C (0.44) P2RY14DRD5TMEM97ADRB3ADRA2B
Trifluoroacetic Acid SCHEMBL5744789 0.85 HTR1A (0.44) HTR2CKDM1AHTR1AHTR3ASLC6A2
Trifluoroacetic Acid SCHEMBL3544769 0.85 HTR1A (0.47) KDM1AHTR1AHTR3ASLC6A2SLC6A3
Oxalic Acid SCHEMBL3547105 0.83 P2RY14 (0.41) P2RY14DRD5TMEM97ADRB3ADRA2B
Trifluoroacetic Acid SCHEMBL5742404 0.82 HTR1A (0.48) P2RY14DRD5TMEM97ADRB3ADRA2B
Oxalic Acid SCHEMBL3547675 0.82 HTR1A (0.46) P2RY14HTR2CHTR1AHTR3ASLC6A2
Trifluoroacetic Acid SCHEMBL3543680 0.82 SLC6A2 (0.43) KDM1AHTR1AHTR3ASLC6A2SLC6A3
SCHEMBL3542542 0.81 HTR2C (0.44) HTR2CHTR1AHTR3ACA1CA2
SCHEMBL3549260 0.80 HTR1A (0.44) HTR2CHTR1AHTR3ACA1CA2
SCHEMBL3548483 0.79 ALDH1A1 (0.39) KDM1ACA1CA2PTGDR2MEN1

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 P2RY14 1261/4885DRD5 31/4885TMEM97 920/4885

“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.