Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507611

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL10277691 0.93 HTR2A (0.39) HTR2AHTR2CHTR2BTSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2369376 0.83 GFER (0.37) HTR2AHTR2CHTR2BSMN1; SMN2SLC6A2
SCHEMBL10277575 0.81 SMN1; SMN2 (0.43) TSHRSMN1; SMN2L3MBTL1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL507959 0.81 RAB9A (0.36) HTR2AHTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL507612 0.79 REN (0.34) TSHRSMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL507852 0.78 TBXA2R (0.40) HTR2AHTR2CHTR2BTSHRALDH1A1
Trifluoroacetic Acid SCHEMBL507752 0.78 KMT2A (0.37) HTR2AHTR2CHTR2BSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL507037 0.77 RAB9A (0.40) SMN1; SMN2L3MBTL1ALDH1A1HPGDKMT2A
Trifluoroacetic Acid SCHEMBL506658 0.76 PKM (0.38) TSHRSMN1; SMN2SLC6A3ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2369816 0.76 NAMPT (0.39) SLC6A3KMT2A

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 HTR2A 4/4885HTR2C 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 HTR2A 4/4885HTR2C 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.