Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100243

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2ccncc2n1Cc1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.43
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1100721 0.97 PPARG (0.45) PPARGRAF1BRAFTRPV1KDM4E
SCHEMBL9104157 0.91 PPARG (0.45) PPARGRAF1BRAFTRPV1KDM4E
SCHEMBL1100242 0.89 PPARG (0.42) PPARGKDM4EMAPT
SCHEMBL1100186 0.88 PPARG (0.46) PPARGKDM4EMAPT
SCHEMBL1100344 0.88 ROCK1 (0.43) TRPV1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL1100779 0.87 SLC2A1 (0.41) RAF1BRAFTRPV1KDM4EMAPT
SCHEMBL1100836 0.86 ABL1 (0.43) PPARG
SCHEMBL1100075 0.86 TRPV1 (0.44) TRPV1MAPT
SCHEMBL1100073 0.86 ECE1 (0.45) TRPV1KDM4EMAPT
SCHEMBL940147 0.85 PPARG (0.46) PPARGRAF1BRAFTRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 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-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 PPARG 513/4885RAF1 3230/4885BRAF 2247/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 PPARG 513/4885RAF1 3230/4885BRAF 2247/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 PPARG 513/4885RAF1 3230/4885BRAF 2247/4885

“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.