Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4807978

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccc3c(c2)CCC3)c1.NC(=O)c1ccc2c(c1)CCC2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
MAPK14 Q16539 1/20 0.35
IGLV6-57 P01721 1/20 0.34
F10 P00742 3/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ROCK2 O75116 6/20 0.33
PRKCE Q02156 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN2 Q16513 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
SCHEMBL5210913 0.93 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL5210889 0.92 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL5210074 0.92 RXRB (0.38) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL5216930 0.90 RAB9A (0.37) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
Trifluoroacetic Acid SCHEMBL4809174 0.85 RXRA (0.37) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL7429016 0.84 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL4809512 0.83 ENPP2 (0.36) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL7430527 0.82 PDK1 (0.34) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL7430920 0.82 PDK1 (0.34) NPC1RAB9ASMN1; SMN2MAPK14HDAC1
Trifluoroacetic Acid SCHEMBL5212669 0.82 RXRA (0.37) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 NPC1 920/4885RAB9A 3346/4885SMN1; SMN2 3179/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 NPC1 3113/4885RAB9A 2685/4885SMN1; SMN2 3725/4885

“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.