Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1712829

CCCCCn1c(=O)n2c(-c3ccncn3)nnc2c2[nH]c(Cl)nc21.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
ADORA2B P29275 3/20 0.35
GNRHR P30968 1/20 0.34
ADORA2A P29274 5/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PCK1 P35558 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
ROCK2 O75116 1/20 0.32
PRKCA P17252 1/20 0.32
GRK2 P25098 1/20 0.32
TNF P01375 1/20 0.31

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
SCHEMBL1713209 0.93 ADORA2B (0.40) ADORA2BADORA2AADORA3ADORA1TSHR
Trifluoroacetic Acid SCHEMBL1713197 0.84 ADORA2B (0.34) ADORA2BGNRHRADORA2AADORA3ADORA1
SCHEMBL1713341 0.83 ADORA2B (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL12462410 0.82 ADORA2B (0.40) ADORA2BADORA2AADORA3ADORA1KDM4E
SCHEMBL1712686 0.79 ADORA2B (0.55) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1713383 0.75 ADORA2B (0.36) ADORA2BADORA2AADORA3ADORA1PDE4A
Trifluoroacetic Acid SCHEMBL3119762 0.71 ADORA1 (0.43) ADORA2BADORA2AADORA3ADORA1
SCHEMBL563544 0.70 ADORA2A (0.46) ADORA2BADORA2AALDH1A1
Trifluoroacetic Acid SCHEMBL563415 0.70 ADORA2A (0.42) ADORA2BGNRHRADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL562501 0.68 ADORA2A (0.44) ADORA2BADORA2AADORA3ADORA1PCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 EP claimed
EP-2049544-B1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2010-11-03 EP claimed
EP-2049544-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-22 EP claimed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US claimed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO claimed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
EP-2049544-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-22 EP disclosed
US-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-04-02 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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 (3 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-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2B 68/4885GNRHR 266/4885ADORA2A 12/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2B 68/4885GNRHR 266/4885ADORA2A 12/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2B 68/4885GNRHR 266/4885ADORA2A 12/4885

“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.