Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2887069

NCCNC(=O)NC1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
DRD2 P14416 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
EPHX2 P34913 2/20 0.40
DRD3 P35462 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40

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 SCHEMBL2891603 1.00 DPP4 (0.46) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL2889125 0.94 DPP4 (0.50) DPP4DPP8DPP9DPP7DRD2
Hydrochloric Acid SCHEMBL2883478 0.93 LMNA (0.49) DRD2LMNAKDM4EGAAALDH1A1
Trifluoroacetic Acid SCHEMBL2887068 0.89 LMNA (0.45) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL2891601 0.89 LMNA (0.45) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3149600 0.89 DPP4 (0.48) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL589490 0.89 CA12 (0.54) DPP4DPP8DPP9DPP7DRD2
Trifluoroacetic Acid SCHEMBL3144597 0.89 CA12 (0.54) DPP4DPP8DPP9DPP7DRD2
SCHEMBL3156635 0.87 ALDH1A1 (0.54) DRD2LMNAKDM4EALDH1A1CA12
Hydrochloric Acid SCHEMBL2891561 0.86 ALDH1A1 (0.53) DRD2LMNAKDM4EALDH1A1CA12

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 DPP4 1446/4885DPP8 1893/4885DPP9 1844/4885

“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.