Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4524869

N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.56
ENPP2 Q13822 4/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MC4R P32245 4/20 0.50
AKT2 P31751 1/20 0.50
AKT1S1 Q96B36 1/20 0.50
AKT3 Q9Y243 1/20 0.50
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL4509578 0.94 AKT1 (0.62) AKT1ENPP2LMNAMAPTMC4R
Hydrochloric Acid SCHEMBL4529692 0.93 AKT1 (0.61) AKT1ENPP2LMNAMAPTMC4R
Hydrochloric Acid SCHEMBL5334071 0.93 AKT1 (0.61) AKT1ENPP2LMNAMAPTMC4R
SCHEMBL4517707 0.78 MC4R (0.55) ENPP2LMNAMAPTMC4R
SCHEMBL14355905 0.75 AKT1 (0.59) AKT1MC4RAKT2AKT1S1AKT3
SCHEMBL14355910 0.75 AKT1 (0.61) AKT1MC4RAKT2AKT1S1AKT3
Hydrochloric Acid SCHEMBL5338187 0.74 AKT1 (0.60) AKT1MC4RAKT2AKT1S1AKT3
SCHEMBL14355904 0.74 AKT1 (0.60) AKT1MC4RAKT2AKT1S1AKT3
SCHEMBL4515320 0.73 MC4R (0.63) AKT1MC4RAKT2AKT1S1AKT3
SCHEMBL6613167 0.73 AKT1 (0.59) AKT1MC4RAKT2AKT1S1AKT3

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-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R AKT1 2882/4885ENPP2 475/4885LMNA 3009/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R AKT1 2882/4885ENPP2 475/4885LMNA 3009/4885

“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.