Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1831202

CCCOc1nc(CN2CCOCC2)nc2oc(-c3cccc(O)c3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3CA P42336 10/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
KDR P35968 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3R1 P27986 3/20 0.34
PIK3C2B O00750 2/20 0.34
PIK3CB P42338 2/20 0.34

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
SCHEMBL1831078 0.93 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL1831208 0.87 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHTTRAB9A
Trifluoroacetic Acid SCHEMBL1829567 0.85 ADORA2A (0.36) ALDH1A1LMNAMAPTRAB9AAPAF1
SCHEMBL1829200 0.84 PDE4B (0.42) ALDH1A1LMNAMAPTHTTRAB9A
Trifluoroacetic Acid SCHEMBL1829337 0.83 KCNJ1 (0.35) ALDH1A1LMNAMAPTRAB9AAPAF1
SCHEMBL1829292 0.82 SLC2A1 (0.43) ALDH1A1LMNAMAPTHTTRAB9A
Trifluoroacetic Acid SCHEMBL1829821 0.81 PDE2A (0.36) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL1829351 0.78 KDM4E (0.40) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL1830594 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMAPTRAB9ACASP7
Trifluoroacetic Acid SCHEMBL2319063 0.74 POLB (0.39) ALDH1A1LMNAHTTL3MBTL1KDM4E

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-8735387-B2 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2014-05-27 US disclosed
EP-2583720-A1 Oxazolopyrimidines as Edg-1 receptor agonists SANOFI (FR) 2013-04-24 EP disclosed
EP-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
US-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2318415-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010006704-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2010-01-21 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-20110190490-A1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS EDNRA, OXGR1, EDF1 ALDH1A1 1007/4885LMNA 4492/4885MAPT 4276/4885

“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.