Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3546218

Cc1cc(Cl)ccc1Sc1ccccc1C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR6 P50406 6/20 0.37
AVPR1A P37288 1/20 0.37
CHRM1 P11229 1/20 0.36

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 0.89 HTR1A (0.46) HTR2CSHMT1SHMT2HTR1ASLC6A2
SCHEMBL3541897 0.89 HTR2C (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL3540769 0.88 HTR2C (0.40) HTR2CSHMT1SHMT2HTR1ASLC6A2
Trifluoroacetic Acid SCHEMBL3544105 0.81 HTR1A (0.50) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL5742975 0.80 HTR2C (0.42) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3546222 0.80 RBP4 (0.40) AVPR1A
Trifluoroacetic Acid SCHEMBL3544769 0.78 HTR1A (0.47) SHMT1SHMT2HTR1ASLC6A2SLC6A4
SCHEMBL3546176 0.78 SLC6A2 (0.46) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3538723 0.77 SLC6A2 (0.45) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19404494 0.77 HTR1A (0.56) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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 4/4885SHMT1 4726/4885SHMT2 4213/4885

“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.