Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1670534

CS(=O)(=O)c1cc(C2(N)CC2)ccn1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
ADRB1 P08588 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 6/20 0.35
HRH4 Q9H3N8 7/20 0.32
HRH3 Q9Y5N1 5/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL12669495 0.88 CCR1 (0.36) CCR1ADRB1KCNH2AKT1AKT2
Hydrochloric Acid SCHEMBL13387889 0.86 CCR1 (0.36) CCR1ADRB1KCNH2AKT1AKT2
SCHEMBL13386499 0.82 AKT1 (0.40) CCR1ADRB1KCNH2AKT1AKT2
Trifluoroacetic Acid SCHEMBL13386459 0.79 KDM1A (0.34) HRH4HRH3L3MBTL1
Trifluoroacetic Acid SCHEMBL1873566 0.75 LOXL2 (0.45) CCR1KCNH2SCN10AHRH4HRH3
SCHEMBL1672692 0.74 LMNA (0.40) CCR1ADRB1KCNH2SCN10A
Trifluoroacetic Acid SCHEMBL13386449 0.74 AKT1 (0.36) HRH4HRH3L3MBTL1AKT1AKT2
Trifluoroacetic Acid SCHEMBL1670540 0.73 SCN10A (0.46) SCN10AHRH4HRH3
SCHEMBL1670536 0.73 CCR1 (0.43) CCR1ADRB1KCNH2SCN10A
SCHEMBL12002508 0.72 LMNA (0.45) CCR1ADRB1KCNH2SCN10AL3MBTL1

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-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
EP-2491028-B1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
CN-102666526-A Indazole and pyrazolopyridine compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2012-09-12 CN disclosed
EP-2491028-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO 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-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 CCR1 1/4885ADRB1 31/4885KCNH2 979/4885

“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.