Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100255

COc1ccc(Cn2c(C(=O)Nc3ccc(N4CCC4)nc3)cc3cc(C(F)(F)F)cnc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 7/20 0.43
NR3C1 P04150 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FASN P49327 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CACNA1H O95180 1/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
DGAT1 O75907 3/20 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
SCHEMBL1100885 0.97 KDM4E (0.46) KDM4ESMN1; SMN2LMNAMAPK1HTT
Trifluoroacetic Acid SCHEMBL1099225 0.92 KDM4E (0.49) KDM4ESMN1; SMN2LMNAMAPK1HTT
Trifluoroacetic Acid SCHEMBL1101066 0.92 FASN (0.42) LMNAMAPTNR3C1FASNTRPV1
Trifluoroacetic Acid SCHEMBL1098452 0.92 MAPT (0.48) KDM4ESMN1; SMN2MAPTNR3C1ALDH1A1
Trifluoroacetic Acid SCHEMBL1101210 0.92 KDM4E (0.49) KDM4ESMN1; SMN2MAPTNR3C1ALDH1A1
Trifluoroacetic Acid SCHEMBL1101495 0.89 FASN (0.42) LMNAHTTMAPTALDH1A1FASN
SCHEMBL1100170 0.89 KDM4E (0.51) KDM4ESMN1; SMN2LMNAMAPK1HTT
SCHEMBL1100686 0.89 MAPT (0.51) KDM4ESMN1; SMN2MAPTNR3C1ALDH1A1
SCHEMBL1099511 0.88 MAPT (0.48) KDM4ESMN1; SMN2LMNAHTTMAPT
SCHEMBL1100525 0.88 KDM4E (0.51) KDM4ESMN1; SMN2MAPTNR3C1ALDH1A1

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 804/4885SMN1; SMN2 2248/4885LMNA 2507/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885SMN1; SMN2 2248/4885LMNA 2507/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885SMN1; SMN2 2248/4885LMNA 2507/4885

“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.