Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4082520

O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc2nn(-c3ccnc4[nH]ccc34)cc2c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRKCI P41743 1/20 0.38
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PBK Q96KB5 1/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.33
NAMPT P43490 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4092152 0.93 KMT2A (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL100232 0.91 PRKCI (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29540654 0.83 MEN1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL100896 0.83 MEN1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL4086134 0.82 PRKCI (0.43) PRKCIPBKAURKAAURKB
Trifluoroacetic Acid SCHEMBL4087921 0.79 PRKCI (0.47) MEN1KMT2AMAPTLMNAPRKCI
Trifluoroacetic Acid SCHEMBL4086536 0.78 SMN1; SMN2 (0.39) MEN1KMT2AMAPTSMN1; SMN2PRKCI
Trifluoroacetic Acid SCHEMBL4086259 0.78 PRKCI (0.44) NPC1RAB9AMEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL4087906 0.72 GRM4 (0.48) PRKCIAURKAAURKB
Trifluoroacetic Acid SCHEMBL4092503 0.72 GRM4 (0.48) AURKAAURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 NPC1 4797/4885RAB9A 2893/4885MEN1 3406/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 NPC1 4797/4885RAB9A 2893/4885MEN1 3406/4885

“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.