Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2992920

CC(c1ccc(-c2cccnc2)cc1Cl)C1CCN(C2CCCCC2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CNR1 P21554 1/20 0.41
CCR5 P51681 1/20 0.38
BACE1 P56817 4/20 0.38
PTGS2 P35354 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
WNT1 P04628 2/20 0.35
DYRK1A Q13627 2/20 0.35
LNPEP Q9UIQ6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 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
SCHEMBL2992900 0.92 CNR1 (0.45) CNR1CCR5BACE1MKNK1MKNK2
Trifluoroacetic Acid SCHEMBL5505634 0.80 CCR5 (0.40) DPP4DPP7CNR1CCR5BACE1
SCHEMBL3001080 0.73 HSD11B1 (0.48) CNR1CCR5BACE1MKNK1MKNK2
Hydrochloric Acid SCHEMBL3997563 0.72 HSD11B1 (0.47) CNR1CCR5BACE1MKNK1MKNK2
SCHEMBL5507832 0.70 CNR1 (0.43) CNR1CCR5BACE1MKNK1MKNK2
SCHEMBL2994371 0.70 CNR1 (0.43) CNR1CCR5BACE1MKNK1MKNK2
SCHEMBL3546984 0.69 HSD11B1 (0.50) CNR1CCR5BACE1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3879011 0.68 HSD11B1 (0.49) CNR1CCR5BACE1CYP11B1CYP11B2
SCHEMBL3950628 0.68 ALDH1A1 (0.41) CCR5
SCHEMBL2996439 0.66 MKNK1 (0.39) CNR1CCR5MKNK1MKNK2CYP11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 DPP4 508/4885DPP7 862/4885CNR1 1591/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 DPP4 470/4885DPP7 575/4885CNR1 1140/4885

“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.