Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL506658

O=C(NCCCSc1c(Cl)ccc2c1CCNCC2)Nc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX1 P07099 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
CNR1 P21554 3/20 0.36
CASR P41180 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 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
SCHEMBL10229248 0.94 PKM (0.41) PKMSMN1; SMN2EPHX1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL507752 0.87 KMT2A (0.37) SMN1; SMN2ALDH1A1HDAC1HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2369816 0.82 NAMPT (0.39) HTTLMNAKMT2AMEN1SLC6A3
SCHEMBL10229243 0.81 KMT2A (0.41) SMN1; SMN2ALDH1A1HDAC1HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL507037 0.81 RAB9A (0.40) SMN1; SMN2ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL506659 0.80 PKM (0.34) PKMSMN1; SMN2EPHX1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL508343 0.79 HTR2A (0.36) CYP1A2CYP2D6LMNA
Trifluoroacetic Acid SCHEMBL507852 0.78 TBXA2R (0.40) PKMALDH1A1TSHRCYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL2369376 0.78 GFER (0.37) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10229247 0.78 NAMPT (0.41) HTTHDAC1LMNAKMT2AMEN1

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 PKM 4612/4885SMN1; SMN2 1853/4885EPHX1 1892/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PKM 4340/4885SMN1; SMN2 2954/4885EPHX1 1281/4885

“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.