Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3556338

O=C(O)C(F)(F)F.O=C1c2ccc(CF)cc2C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
SIGMAR1 Q99720 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37
CPB2 Q96IY4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 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
SCHEMBL3561839 0.93 DRD2 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3561843 0.93 DRD2 (0.46) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3554622 0.89 HTR2A (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3558085 0.86 HTR2A (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3553570 0.83 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3553573 0.83 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3561552 0.83 HTR2A (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3556703 0.83 DRD2 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3559821 0.81 ACHE (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3559826 0.81 ACHE (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1

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 47/4885HTR2A 3/4885HTR2C 5/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885HTR2A 4/4885HTR2C 6/4885

“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.