Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3882860

O=C(O)C(F)(F)F.O=C1C(Cc2c(Cl)cc(-c3ccc(OCCCN4CCCCC4)cc3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 3/20 0.43
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 1/20 0.41

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 SCHEMBL3891031 0.96 KDM4E (0.44) HRH3KDM4EKCNH2HRH1HRH4
SCHEMBL3555481 0.93 HRH3 (0.51) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3545808 0.88 HRH3 (0.47) HRH3KDM4E
Trifluoroacetic Acid SCHEMBL3882838 0.88 HSD11B1 (0.39) HRH3KDM4ESMN1; SMN2CACNA1B
Trifluoroacetic Acid SCHEMBL3882065 0.85 TBXAS1 (0.43) SMN1; SMN2MEN1KMT2ACACNA1B
SCHEMBL3554794 0.85 HSD11B1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL2999215 0.84 HSD11B1 (0.46) KDM4EHRH1
SCHEMBL3548268 0.83 HSD11B1 (0.48) ALDH1A1KCNH2HRH1MEN1KMT2A
SCHEMBL3556625 0.81 NPC1 (0.46) HRH3KDM4EALDH1A1BMPR1BBMPR1A
SCHEMBL3546880 0.81 HRH3 (0.46) HRH3KDM4EKCNH2

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
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 HRH3 3936/4885KDM4E 2842/4885ALDH1A1 108/4885

“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.