Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507959

O=C(NCCSc1c(Cl)ccc2c1CCNCC2)c1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PARP1 P09874 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL10277888 0.93 MEN1 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL2369816 0.86 NAMPT (0.39) MEN1KMT2ALMNAMAPTEPHX2
Trifluoroacetic Acid SCHEMBL507752 0.86 KMT2A (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL507037 0.83 RAB9A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL2369376 0.82 GFER (0.37) RAB9ASMN1; SMN2NPC1PARP1CYP1A2
SCHEMBL10229247 0.82 NAMPT (0.41) MEN1KMT2ALMNAHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL507611 0.81 HTR2A (0.34) SMN1; SMN2ALDH1A1KMT2AHTR2AHTR2C
SCHEMBL10229243 0.80 KMT2A (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL507960 0.79 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL507852 0.77 TBXA2R (0.40) ALDH1A1MEN1KMT2ANFKB1MAPK1

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 RAB9A 3673/4885SMN1; SMN2 1853/4885NPC1 2664/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RAB9A 1649/4885SMN1; SMN2 2954/4885NPC1 3189/4885

“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.