Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1101210

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccc(F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
STAT3 P40763 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
DGAT1 O75907 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
NR3C1 P04150 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 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
SCHEMBL1100525 0.97 KDM4E (0.51) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1098452 0.94 MAPT (0.48) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1099511 0.92 MAPT (0.48) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1100255 0.92 KDM4E (0.43) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1101174 0.91 MAPT (0.46) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100686 0.90 MAPT (0.51) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1100708 0.90 MAPT (0.44) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100463 0.90 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
SCHEMBL1100431 0.89 MAPT (0.47) KDM4EPKMMAPTSMN1; SMN2STAT3
Trifluoroacetic Acid SCHEMBL1099827 0.88 ECE1 (0.44) KDM4EPKMMAPTSMN1; SMN2STAT3

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 KDM4E 804/4885PKM 869/4885MAPT 4029/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885PKM 869/4885MAPT 4029/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885PKM 869/4885MAPT 4029/4885

“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.