Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3633144

Ic1ccccc1-c1nnc(-c2cccnc2)o1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
EGFR P00533 1/20 0.47
PTGS2 P35354 1/20 0.47
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL1422982 0.87 NPC1 (0.68) NPC1RAB9ATP53GAAHSD17B10
Trifluoroacetic Acid SCHEMBL4925968 0.87 NPC1 (0.55) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL4925766 0.87 NPC1 (0.55) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL3633019 0.86 NPC1 (0.76) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL4920951 0.86 NPC1 (0.76) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL3635459 0.86 NPC1 (0.58) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL3634033 0.84 NPC1 (0.61) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL4926618 0.84 RAB9A (0.52) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL4916646 0.82 NPC1 (0.50) NPC1RAB9ATP53GAAEGFR
Trifluoroacetic Acid SCHEMBL4928304 0.82 NPC1 (0.58) NPC1RAB9ATP53GAAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101715449-A Heterocyclic compounds and their methods of use ABBOTT LAB 2010-05-26 CN disclosed
EP-2146985-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE Abbott Laboratories (US) 2010-01-27 EP disclosed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 WO disclosed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 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-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE CYP11B2, AADAC, CYP11B1 NPC1 473/4885RAB9A 3859/4885TP53 950/4885

“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.