Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507230

O=C(NCCSc1c(Cl)ccc2c1CCCCN2)C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ADRA1A P35348 2/20 0.32
HRH1 P35367 2/20 0.32
KCNH2 Q12809 2/20 0.32
ADRA1B P35368 1/20 0.32
EPHX2 P34913 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
PTGES O14684 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NUDT1 P36639 1/20 0.30
PARP1 P09874 1/20 0.30
TAAR1 Q96RJ0 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
Trifluoroacetic Acid SCHEMBL2369376 0.81 GFER (0.37) GFERKCNH2EPHX2NPC1RAB9A
SCHEMBL2369383 0.73 GFER (0.34) GFERIDO1
SCHEMBL10277981 0.73 GFER (0.42) GFERIDO1PARP1
Trifluoroacetic Acid SCHEMBL507959 0.66 RAB9A (0.36) EPHX2NPC1RAB9ASMN1; SMN2PARP1
Trifluoroacetic Acid SCHEMBL30164218 0.66 TRPV1 (0.47) SMN1; SMN2TAAR1
Trifluoroacetic Acid SCHEMBL507611 0.65 HTR2A (0.34) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5942173 0.64 RXFP1 (0.58) RXFP1TAAR1
Hydrochloric Acid SCHEMBL5732409 0.64 ANO1 (0.39) PKMPARP1
Trifluoroacetic Acid SCHEMBL5076828 0.61 ALDH1A1 (0.56) EPHX2NPC1PKMRAB9A
Trifluoroacetic Acid SCHEMBL507752 0.61 KMT2A (0.37) NPC1RAB9ASMN1; SMN2

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 2 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A GFER 2747/4885ADRA1A 106/4885HRH1 276/4885

“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.