Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100708

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SLC2A1 P11166 2/20 0.42
POLB P06746 1/20 0.42
GPR6 P46095 3/20 0.41
DGAT1 O75907 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KLKB1 P03952 1/20 0.40
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
SCHEMBL1100139 0.97 MAPT (0.47) MAPTKDM4EPOLBDGAT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1101174 0.93 MAPT (0.46) MAPTKDM4EPOLBDGAT1SMN1; SMN2
SCHEMBL1099511 0.92 MAPT (0.48) MAPTKDM4EPOLBDGAT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1101210 0.90 KDM4E (0.49) MAPTKDM4EPOLBDGAT1SMN1; SMN2
SCHEMBL1101024 0.90 MAPT (0.49) MAPTKDM4EPOLBDGAT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1100561 0.89 KDM4E (0.43) MAPTKDM4EPOLBDGAT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1099225 0.89 KDM4E (0.49) MAPTKDM4EPOLBGPR6DGAT1
Trifluoroacetic Acid SCHEMBL1098452 0.89 MAPT (0.48) MAPTKDM4EPOLBDGAT1SMN1; SMN2
SCHEMBL1100431 0.89 MAPT (0.47) MAPTKDM4EPOLBDGAT1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1099740 0.88 SLC2A1 (0.42) MAPTKDM4ESLC2A1GPR6DGAT1

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 MAPT 4029/4885KDM4E 804/4885SLC2A1 4074/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885SLC2A1 4074/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885SLC2A1 4074/4885

“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.