Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3556703

O=C(O)C(F)(F)F.O=C1c2cc(Br)ccc2C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR6 P46095 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL3558656 0.92 DRD2 (0.47) DRD2FPR2ALDH1A1MAPTKDM4E
SCHEMBL3558652 0.92 DRD2 (0.47) DRD2FPR2ALDH1A1MAPTKDM4E
Trifluoroacetic Acid SCHEMBL3561552 0.89 HTR2A (0.51) DRD2ALDH1A1KDM4EHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL3554776 0.86 HTR2A (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554991 0.84 DRD2 (0.47) DRD2FPR2ALDH1A1MAPTHTR2A
SCHEMBL3554987 0.84 DRD2 (0.47) DRD2FPR2ALDH1A1MAPTHTR2A
SCHEMBL3554968 0.83 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554972 0.83 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3556338 0.83 DRD2 (0.41) DRD2ALDH1A1MAPTKDM4ENPSR1
Trifluoroacetic Acid SCHEMBL3554622 0.83 HTR2A (0.51) DRD2ALDH1A1KDM4EHTR2AHTR2C

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A DRD2 47/4885FPR2 327/4885ALDH1A1 4097/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885FPR2 355/4885ALDH1A1 3898/4885

“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.