Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507852

O=C(O)C(F)(F)F.O=S(=O)(NCCSc1c(Cl)ccc2c1CCNCC2)c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR6 P50406 1/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 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
SCHEMBL10274762 0.92 HTR2C (0.45) TBXA2RHTR2CHTR2BALDH1A1GAA
Trifluoroacetic Acid SCHEMBL507752 0.80 KMT2A (0.37) HTR2CHTR2BALDH1A1GAATDP1
SCHEMBL507853 0.80 TBXA2R (0.36) TBXA2RALDH1A1CYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL2369376 0.79 GFER (0.37) HTR2CHTR2BCYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL506658 0.78 PKM (0.38) ALDH1A1CYP1A2CYP2C9TSHRPKM
Trifluoroacetic Acid SCHEMBL507611 0.78 HTR2A (0.34) HTR2CHTR2BALDH1A1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL507959 0.77 RAB9A (0.36) HTR2CHTR2BALDH1A1CYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL508343 0.76 HTR2A (0.36) HTR2CHTR2BCYP1A2HTR2A
Trifluoroacetic Acid SCHEMBL506997 0.75 CYP1A2 (0.42) HTR2CHTR2BALDH1A1CYP1A2HSD17B10
Trifluoroacetic Acid SCHEMBL507818 0.75 HTR2A (0.41) HTR2CHTR2BHTR2A

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
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 TBXA2R 177/4885HTR2C 1/4885HTR2B 6/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A TBXA2R 85/4885HTR2C 1/4885HTR2B 12/4885

“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.