Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1309459

CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@H](N)Cc2ccc(OC)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
DPP7 Q9UHL4 4/20 0.45
DPP8 Q6V1X1 3/20 0.45
FAP Q12884 2/20 0.45
DPP9 Q86TI2 2/20 0.45
MC4R P32245 12/20 0.43
MC5R P33032 11/20 0.43
ALDH1A1 P00352 1/20 0.42
MC3R P41968 4/20 0.42
MC1R Q01726 4/20 0.42
HTT P42858 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
SCHEMBL1309122 0.95 DPP4 (0.49) DPP4DPP7DPP8FAPDPP9
SCHEMBL1309125 0.95 DPP4 (0.49) DPP4DPP7DPP8FAPDPP9
Trifluoroacetic Acid SCHEMBL16492649 0.90 DPP4 (0.48) DPP4DPP7DPP8FAPDPP9
SCHEMBL16492650 0.88 DPP4 (0.48) DPP4DPP7DPP8FAPDPP9
SCHEMBL1309058 0.85 MC4R (0.56) DPP4DPP7DPP8FAPDPP9
SCHEMBL1309061 0.85 MC4R (0.56) DPP4DPP7DPP8FAPDPP9
SCHEMBL1308185 0.82 DPP4 (0.49) DPP4DPP7DPP8FAPDPP9
SCHEMBL1308187 0.82 DPP4 (0.49) DPP4DPP7DPP8FAPDPP9
SCHEMBL1308557 0.81 MC4R (0.49) MC4RMC5RALDH1A1MC3RMC1R
SCHEMBL1308553 0.81 MC4R (0.49) MC4RMC5RALDH1A1MC3RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-19 US disclosed
US-8962846-B2 Melanocortin receptor antagonist compounds, process for preparing them and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-24 US disclosed
US-8877968-B2 Melanocortin receptor modulators, process for preparing them and use there in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-04 US disclosed
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 EP disclosed
EP-2352729-B1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-14 EP disclosed
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-17 US disclosed
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 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 (3 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-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R DPP4 3167/4885DPP7 2017/4885DPP8 2859/4885
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R DPP4 3691/4885DPP7 3397/4885DPP8 3565/4885
US-20110281913-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R DPP4 3178/4885DPP7 2199/4885DPP8 2757/4885

“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.