Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1099740

O=C(Nc1ccc(N2CCC2)nc1)c1cc2ccc(C(F)(F)F)nc2n1Cc1cccc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.42
GPR6 P46095 6/20 0.41
DGAT1 O75907 7/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KLKB1 P03952 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL1101594 0.97 KCNQ3 (0.42) DGAT1KCNQ3KCNQ2KLKB1KDM4E
Trifluoroacetic Acid SCHEMBL1100589 0.92 MAPT (0.43) DGAT1KCNQ3KCNQ2KDM4EMAPT
SCHEMBL1100056 0.92 DGAT1 (0.47) DGAT1KCNQ3KCNQ2KDM4EMAPT
Trifluoroacetic Acid SCHEMBL1100562 0.89 MAPT (0.42) SLC2A1DGAT1KCNQ3KCNQ2KDM4E
SCHEMBL1100131 0.89 MAPT (0.46) DGAT1KCNQ3KCNQ2KDM4EMAPT
Trifluoroacetic Acid SCHEMBL1100708 0.88 MAPT (0.44) SLC2A1GPR6DGAT1KCNQ3KCNQ2
SCHEMBL1100804 0.88 TRPV1 (0.49) DGAT1KDM4EMAPT
SCHEMBL1101004 0.88 MAPT (0.51) DGAT1KCNQ3KCNQ2KDM4EMAPT
SCHEMBL1099457 0.87 KCNQ3 (0.44) DGAT1KCNQ3KCNQ2KDM4EMAPT
SCHEMBL1100861 0.87 KDM4E (0.45) DGAT1KCNQ3KCNQ2KDM4EMAPT

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 SLC2A1 4074/4885GPR6 3824/4885DGAT1 3777/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 SLC2A1 4074/4885GPR6 3824/4885DGAT1 3777/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 SLC2A1 4074/4885GPR6 3824/4885DGAT1 3777/4885

“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.