Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1101032

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cccnc2n1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.45
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1100786 0.95 CNR1 (0.47) DGAT1CNR1CNR2KMT2AKCNQ3
Trifluoroacetic Acid SCHEMBL1099895 0.92 MAPT (0.44) DGAT1ALDH1A1GAAMAPTMAPK1
Trifluoroacetic Acid SCHEMBL1101495 0.92 FASN (0.42) DGAT1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL1100995 0.90 DGAT1 (0.44) DGAT1MAPTMAPK1KMT2ACYP3A4
SCHEMBL1100494 0.90 CNR1 (0.49) DGAT1CNR1CNR2ALDH1A1KCNQ3
SCHEMBL1100841 0.89 MAPT (0.46) DGAT1ALDH1A1GAAMAPTMAPK1
SCHEMBL1100988 0.87 HTT (0.46) DGAT1CNR1CNR2ALDH1A1MAPT
SCHEMBL1100783 0.87 L3MBTL1 (0.47) DGAT1CNR1CNR2MAPTKCNQ3
SCHEMBL1100754 0.86 PPARG (0.41) DGAT1CNR1ALDH1A1GAAMAPT
SCHEMBL1099511 0.86 MAPT (0.48) DGAT1ALDH1A1MAPTKCNQ3KCNQ2

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-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-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-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 DGAT1 3777/4885CNR1 234/4885CNR2 75/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885CNR1 234/4885CNR2 75/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 DGAT1 3777/4885CNR1 234/4885CNR2 75/4885

“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.