Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3558085

COc1ccc2c(c1)C[C@@H]1CN(Cc3ccccc3)CCN1C2=O.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 2/20 0.48
SIGMAR1 Q99720 5/20 0.46
ACHE P22303 4/20 0.46
DRD2 P14416 2/20 0.46
BACE1 P56817 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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 SCHEMBL3554776 0.93 HTR2A (0.48) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL3560218 0.92 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL3560220 0.92 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE
Trifluoroacetic Acid SCHEMBL3556338 0.86 DRD2 (0.41) HTR2AHTR2CHTR2BSIGMAR1DRD2
Trifluoroacetic Acid SCHEMBL3554622 0.86 HTR2A (0.51) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL3558520 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL3558515 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE
Trifluoroacetic Acid SCHEMBL3550913 0.81 HTR2A (0.49) HTR2AHTR2CHTR2BACHEDRD2
SCHEMBL3553570 0.81 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE
SCHEMBL3553573 0.81 HTR2A (0.55) HTR2AHTR2CHTR2BSIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US claimed
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 HTR2A 3/4885HTR2C 5/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2A 4/4885HTR2C 6/4885HTR2B 3/4885

“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.