Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3561604

O=C(O)C(F)(F)F.O=C1c2c(cc(Nc3ccc(OC(F)(F)F)cc3)cc2C(F)(F)F)[C@@H]2CNCCN12

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.55
HTR2A P28223 19/20 0.55
HTR2B P41595 18/20 0.55
CYP3A4 P08684 1/20 0.53

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
SCHEMBL13118862 0.95 HTR2C (0.61) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3552379 0.89 HTR2C (0.61) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118855 0.84 HTR2C (0.65) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3557536 0.83 HTR2C (0.61) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3559142 0.82 HTR2C (0.56) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3563763 0.81 HTR2C (0.58) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3559282 0.80 HTR2C (0.57) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3552231 0.78 HTR2C (0.64) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3561606 0.78 HTR2C (0.43) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118842 0.77 HTR2C (0.68) HTR2CHTR2AHTR2BCYP3A4

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 7 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
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO 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 HTR2C 5/4885HTR2A 3/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2A 4/4885HTR2B 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.