Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1100565

COc1ccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cc(F)cnc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
DGAT1 O75907 1/20 0.38
PRKAA2 P54646 2/20 0.38
ABL1 P00519 5/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
FASN P49327 1/20 0.38
RAB9A P51151 2/20 0.38
NR3C1 P04150 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1101081 0.96 CNR2 (0.44) CNR1CNR2MEN1KMT2ATRPV1
Trifluoroacetic Acid SCHEMBL1101066 0.91 FASN (0.42) CNR1CNR2MEN1KMT2ATRPV1
SCHEMBL1100566 0.89 CNR2 (0.41) CNR1CNR2MEN1KMT2ADGAT1
SCHEMBL1100992 0.89 NR3C1 (0.43) CNR1CNR2TRPV1DGAT1ABL1
SCHEMBL1099653 0.89 CNR2 (0.41) CNR1CNR2TRPV1DGAT1TP53
SCHEMBL1101586 0.87 DGAT1 (0.42) MEN1KMT2ATRPV1DGAT1TP53
SCHEMBL1100911 0.87 CNR2 (0.41) CNR1CNR2TRPV1DGAT1TP53
SCHEMBL1101330 0.87 DGAT1 (0.41) MEN1KMT2ATRPV1DGAT1TP53
Trifluoroacetic Acid SCHEMBL1100621 0.86 ABL1 (0.42) CNR1TRPV1DGAT1ABL1
SCHEMBL1100936 0.86 FASN (0.45) CNR1CNR2MEN1KMT2ATRPV1

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 CNR1 234/4885CNR2 75/4885MEN1 2427/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR1 234/4885CNR2 75/4885MEN1 2427/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CNR1 234/4885CNR2 75/4885MEN1 2427/4885

“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.