Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2932739

Brc1cncc(-c2cc3ccccc3[nH]2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SLC22A12 Q96S37 1/20 0.44
TBK1 Q9UHD2 1/20 0.42
FFAR1 O14842 1/20 0.41
PADI4 Q9UM07 2/20 0.41
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ESR1 P03372 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL1606850 0.87 CYP19A1 (0.62) CYP19A1NPC1RAB9ATBK1CDK5
SCHEMBL25168239 0.77 CYP19A1 (0.72) CYP19A1NPC1RAB9ATBK1CDK5
Benzoic Acid SCHEMBL28780935 0.74 CYP19A1 (0.50) CYP19A1NPC1RAB9ASLC22A12TBK1
Trifluoroacetic Acid SCHEMBL4886432 0.74 RIPK1 (0.52) MAPTHPGDALDH1A1VCP
Trifluoroacetic Acid SCHEMBL2932794 0.74 RIPK1 (0.52) HPGDALDH1A1
SCHEMBL14269575 0.73 CASP3 (0.55) CYP19A1NPC1RAB9ACDK5CDK5R1
SCHEMBL1606452 0.73 CYP19A1 (0.62) CYP19A1NPC1RAB9ATBK1CDK5
SCHEMBL2933095 0.72 CASP3 (0.53) CYP19A1NPC1RAB9ATBK1CDK5
SCHEMBL1606293 0.71 NPC1 (0.65) CYP19A1NPC1RAB9ATBK1CDK5
SCHEMBL1919663 0.70 CYP19A1 (0.62) CYP19A1NPC1RAB9ACDK5CDK5R1

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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 (1 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 CYP19A1 549/4885NPC1 1393/4885RAB9A 1528/4885

“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.