Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100562

Cc1ccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3ccc(C(F)(F)F)nc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
DGAT1 O75907 11/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CACNA1H O95180 1/20 0.39
STAT3 P40763 1/20 0.39
SLC2A1 P11166 1/20 0.38

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
SCHEMBL1099456 0.97 MAPT (0.45) MAPTKDM4ERAB9AL3MBTL1CYP1A2
SCHEMBL1100861 0.90 KDM4E (0.45) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1100056 0.90 DGAT1 (0.47) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
Trifluoroacetic Acid SCHEMBL1099740 0.89 SLC2A1 (0.42) MAPTKDM4EDGAT1KCNQ3KCNQ2
SCHEMBL1100068 0.88 FASN (0.43) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
SCHEMBL1101004 0.88 MAPT (0.51) MAPTKDM4ERAB9AL3MBTL1DGAT1
Trifluoroacetic Acid SCHEMBL1100589 0.88 MAPT (0.43) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3
Trifluoroacetic Acid SCHEMBL1098452 0.88 MAPT (0.48) MAPTKDM4ERAB9AL3MBTL1CYP1A2
SCHEMBL1099713 0.88 TRPV1 (0.41) MAPTKDM4ERAB9AL3MBTL1CYP1A2
SCHEMBL1101594 0.85 KCNQ3 (0.42) MAPTKDM4EDGAT1SMN1; SMN2KCNQ3

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 MAPT 4029/4885KDM4E 804/4885RAB9A 2711/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885RAB9A 2711/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885KDM4E 804/4885RAB9A 2711/4885

“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.