Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1099809

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cc(F)cnc2n1Cc1cc(Cl)cc(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 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
RAF1 P04049 4/20 0.38
BRAF P15056 4/20 0.38
DGAT1 O75907 3/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 4/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
NR3C1 P04150 1/20 0.35
POLB P06746 1/20 0.34
ABL1 P00519 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL14972747 0.97 TRPV1 (0.45) TRPV1RAF1BRAFDGAT1MAPT
SCHEMBL1099807 0.89 DGAT1 (0.38) TRPV1RAF1DGAT1MAPTSMN1; SMN2
SCHEMBL1100633 0.87 RAF1 (0.43) TRPV1RAF1BRAFDGAT1MAPT
Trifluoroacetic Acid SCHEMBL1100565 0.86 CNR1 (0.41) TRPV1DGAT1MAPTSMN1; SMN2KDM4E
SCHEMBL1101330 0.86 DGAT1 (0.41) TRPV1DGAT1MAPTSMN1; SMN2FASN
SCHEMBL1099653 0.86 CNR2 (0.41) TRPV1DGAT1MAPTSMN1; SMN2KDM4E
SCHEMBL1100554 0.85 TRPV1 (0.47) TRPV1DGAT1MAPTKDM4E
SCHEMBL1101169 0.85 TRPV1 (0.43) TRPV1RAF1BRAFDGAT1MAPT
SCHEMBL1100063 0.83 TRPV1 (0.49) TRPV1RAF1BRAFDGAT1MAPT
SCHEMBL1100911 0.83 CNR2 (0.41) TRPV1DGAT1MAPTFASN

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 TRPV1 2255/4885RAF1 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 TRPV1 2255/4885RAF1 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 TRPV1 2255/4885RAF1 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.