Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507752

O=C(NCCCSc1c(Cl)ccc2c1CCNCC2)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MLYCD O95822 2/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NAMPT P43490 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2 P17301 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NAAA Q02083 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL10229243 0.94 KMT2A (0.41) KMT2ARAB9ANPC1SMN1; SMN2RECQL
Trifluoroacetic Acid SCHEMBL2369816 0.93 NAMPT (0.39) KMT2AMLYCDGAANAMPTMEN1
Trifluoroacetic Acid SCHEMBL507037 0.91 RAB9A (0.40) KMT2AMLYCDRAB9ANPC1SMN1; SMN2
SCHEMBL10229247 0.89 NAMPT (0.41) KMT2AGAANAMPTHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL506658 0.87 PKM (0.38) KMT2ASMN1; SMN2ALDH1A1HDAC1HDAC8
Trifluoroacetic Acid SCHEMBL507959 0.86 RAB9A (0.36) KMT2ARAB9ANPC1SMN1; SMN2RECQL
SCHEMBL10229258 0.85 RAB9A (0.44) KMT2ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL10229248 0.81 PKM (0.41) KMT2ARAB9ANPC1SMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL508343 0.80 HTR2A (0.36) HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL507852 0.80 TBXA2R (0.40) KMT2AALDH1A1GAAHTR2AHTR2C

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 KMT2A 1239/4885MLYCD 3257/4885RAB9A 3673/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KMT2A 1218/4885MLYCD 2090/4885RAB9A 1649/4885

“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.