Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5212459

NC(=O)c1ccc2c(c1)CCC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccc(C(=O)O)cc2)c1.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
RXRB P28702 4/20 0.40
RXRA P19793 3/20 0.40
RXRG P48443 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
FOLH1 Q04609 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
Trifluoroacetic Acid SCHEMBL5213198 0.96 NPC1 (0.36) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5212669 0.96 RXRA (0.37) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4809174 0.95 RXRA (0.37) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5213598 0.94 NPC1 (0.35) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5209988 0.94 NPC1 (0.37) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5212857 0.93 PTGES (0.35) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5214291 0.93 RXRA (0.35) RXRBRXRARXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5210467 0.93 F2 (0.37) NPC1RAB9AMRGPRX4POLBGFER
Trifluoroacetic Acid SCHEMBL7426179 0.88 F2 (0.36) OPRM1OPRD1OPRK1
SCHEMBL4803627 0.88 RXRA (0.38) RXRBRXRARXRGNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819699-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-08-22 EP disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
WO-2006056877-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-01 WO disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 RXRB 3639/4885RXRA 3010/4885RXRG 3767/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 RXRB 4000/4885RXRA 3757/4885RXRG 4038/4885

“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.