Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1829337

CCCOc1nc(CN2CCOCC2)nc2oc(-c3ccc(Br)o3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ ADORA2A P29274 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
SCHEMBL1830239 0.91 ADORA2A (0.38) L3MBTL1MEN1KMT2ACASP7KDM4E
Trifluoroacetic Acid SCHEMBL1829567 0.87 ADORA2A (0.36) KCNJ1L3MBTL1MEN1KMT2ACASP7
Trifluoroacetic Acid SCHEMBL1831202 0.83 ALDH1A1 (0.40) L3MBTL1CASP7KDM4ERAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL1829821 0.82 PDE2A (0.36) KCNJ1L3MBTL1MEN1KMT2ACASP7
SCHEMBL1831208 0.78 ALDH1A1 (0.39) L3MBTL1MEN1KMT2ACASP7KDM4E
SCHEMBL1830594 0.77 ALDH1A1 (0.40) MEN1KMT2ACASP7KDM4ENPC1
SCHEMBL1828743 0.75 MAPT (0.33) L3MBTL1MEN1KMT2AKDM4ENPC1
SCHEMBL1831078 0.74 ALDH1A1 (0.39) KDM4ERAB9AALDH1A1MAPTLMNA
SCHEMBL1829200 0.74 PDE4B (0.42) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL1829340 0.74 L3MBTL1 (0.32) L3MBTL1MEN1KMT2ACASP7KDM4E

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 KCNJ1 2898/4885L3MBTL1 2869/4885MEN1 4180/4885

“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.