Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3885236

Cc1cc(OCCN2CCCCC2)ccc1-c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 8/20 0.40
ESR2 Q92731 7/20 0.40
HRH3 Q9Y5N1 4/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.37

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
SCHEMBL3547166 0.94 HRH3 (0.45) KDM4EPOLBSMN1; SMN2ESR1ESR2
Hydrochloric Acid SCHEMBL3000685 0.93 HRH3 (0.44) KDM4EPOLBSMN1; SMN2ESR1ESR2
Trifluoroacetic Acid SCHEMBL3885131 0.90 MMP2 (0.37) KDM4ESMN1; SMN2ESR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3892434 0.89 HSD11B1 (0.35) KDM4EPOLBSMN1; SMN2ESR1MEN1
SCHEMBL3551301 0.86 FFAR4 (0.44) KDM4EPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3891031 0.85 KDM4E (0.44) KDM4EPOLBESR1ESR2HRH3
SCHEMBL3546880 0.84 HRH3 (0.46) KDM4EPOLBHRH3AXL
SCHEMBL4514686 0.83 KDM4E (0.50) KDM4EPOLBSMN1; SMN2ESR1ESR2
SCHEMBL3544979 0.83 PIK3CA (0.38) KDM4ESMN1; SMN2ESR1HRH3MEN1
Hydrochloric Acid SCHEMBL2988943 0.83 HRH3 (0.45) KDM4EPOLBHRH3AXL

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 KDM4E 2842/4885POLB 1851/4885SMN1; SMN2 4576/4885

“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.