Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2805210

N#Cc1cc(F)ccc1Nc1ccc(CNC(=O)C2(N)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.36
METAP2 P50579 3/20 0.35
LRRK2 Q5S007 1/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
TTK P33981 1/20 0.34
NAMPT P43490 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
RORC P51449 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CHRM4 P08173 2/20 0.33
PRKAA2 P54646 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL2804886 0.94 AKT2 (0.39) AKT2METAP2LRRK2POLBRAB9A
SCHEMBL2805481 0.86 AKT2 (0.39) AKT2METAP2LRRK2POLBRAB9A
Trifluoroacetic Acid SCHEMBL196776 0.85 CHRM4 (0.36) LRRK2TTKJAK2JAK1CHRM4
SCHEMBL2809100 0.83 AKT2 (0.44) AKT2NAMPTRORCFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL186078 0.82 LRRK2 (0.40) LRRK2TTKTAS2R14JAK2JAK1
SCHEMBL2792629 0.82 METAP2 (0.39) METAP2LRRK2POLBRAB9ANPC1
SCHEMBL2808648 0.82 AKT2 (0.39) AKT2METAP2POLBRAB9ANPC1
SCHEMBL2805653 0.81 CYP3A4 (0.40) METAP2LRRK2POLBRAB9ANPC1
SCHEMBL185133 0.81 CNR2 (0.41) AKT2POLBRAB9ANPC1MAOB
SCHEMBL2805476 0.74 METAP2 (0.39) METAP2LRRK2POLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AKT2 3922/4885METAP2 3017/4885LRRK2 2304/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AKT2 3922/4885METAP2 3017/4885LRRK2 2304/4885

“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.