Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL558315

Cc1ccc2ncc(N)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CDK11B P21127 1/20 0.46
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
MYLK4 Q86YV6 1/20 0.46
CDK11A Q9UQ88 1/20 0.46
NCK1 P16333 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 2/20 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
Trifluoroacetic Acid SCHEMBL558150 0.94 IKBKB (0.46) IKBKBCDK11BCDK7CDK13MAP3K19
SCHEMBL6845013 0.84 BACE1 (0.55) NCK1BACE1LMNASMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL558418 0.82 HPGDS (0.48) LMNASMN1; SMN2NPC1RAB9ANQO2
Trifluoroacetic Acid SCHEMBL27827825 0.80 ALDH1A1 (0.50) BACE1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6844962 0.78 NCK1 (0.55) NCK1BACE1LMNASMN1; SMN2NPC1
SCHEMBL15687806 0.72 ALDH1A1 (0.61) LMNASMN1; SMN2NPC1EGFRMAPT
SCHEMBL31184015 0.70 NQO2 (0.46) LMNASMN1; SMN2MAPTNQO2ALDH1A1
SCHEMBL11522085 0.70 BACE1 (0.59) BACE1EGFRMETKDM4ENOS3
SCHEMBL20364207 0.70 NQO2 (0.46) LMNASMN1; SMN2MAPTNQO2ALDH1A1
Trifluoroacetic Acid SCHEMBL4118992 0.69 CDK5 (0.42) BACE1SMN1; SMN2MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
CN-102791718-B Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
CN-102066384-B Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO 2014-07-30 CN disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
CN-102791718-A Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO 2012-11-21 CN disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
EP-2493892-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
CN-102066384-A Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO 2011-05-18 CN disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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 (9 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 IKBKB 4427/4885CDK11B 2559/4885CDK7 160/4885

“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.