Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL567274

NCc1ccnc2[nH]ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.43
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
NOTUM Q6P988 1/20 0.41
PRKCI P41743 3/20 0.41
AXL P30530 1/20 0.41
CIT O14578 6/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 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
SCHEMBL1752655 0.85 PRKCI (0.53) NUDT1IKBKBCHUKPRKCIAXL
Hydrochloric Acid SCHEMBL4973929 0.83 PRKCI (0.52) NUDT1IKBKBCHUKPRKCIAXL
Hydrochloric Acid SCHEMBL4978077 0.83 PRKCI (0.52) NUDT1IKBKBCHUKPRKCIAXL
SCHEMBL12605518 0.77 PARP1 (0.56) NUDT1IKBKBCHUKNOTUMPRKCI
SCHEMBL27846126 0.76 NUDT1 (0.44) NUDT1IKBKBCHUKPRKCIAXL
SCHEMBL30514291 0.75 NUDT1 (0.54) NUDT1IKBKBCHUKNOTUMPRKCI
SCHEMBL14907662 0.74 NUDT1 (0.44) NUDT1IKBKBCHUKPRKCICIT
Trifluoroacetic Acid SCHEMBL28330499 0.74 NOTUM (0.48) NOTUMDAPK3JAK2PRKD3MAP4K4
Trifluoroacetic Acid SCHEMBL29971319 0.74 NOTUM (0.48) NOTUMDAPK3JAK2PRKD3MAP4K4
Trifluoroacetic Acid SCHEMBL30444708 0.73 BTK (0.58) IKBKBCHUKCITDAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 CN disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (4 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NUDT1 1275/4885IKBKB 966/4885CHUK 307/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NUDT1 1275/4885IKBKB 966/4885CHUK 307/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 NUDT1 368/4885IKBKB 274/4885CHUK 215/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NUDT1 1288/4885IKBKB 914/4885CHUK 288/4885

“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.