Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4832585

COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCNC3)CC2)c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ORAI1 Q96D31 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
PTGIR P43119 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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 SCHEMBL4832517 0.86 ACHE (0.48) ACHEALDH1A1KDM4EKMT2AMEN1
Trifluoroacetic Acid SCHEMBL4837060 0.85 ACHE (0.49) ACHEALDH1A1KMT2AMEN1PTGIR
SCHEMBL4842187 0.83 ALDH1A1 (0.55) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4840307 0.82 ALDH1A1 (0.57) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4832630 0.81 ALDH1A1 (0.50) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4844682 0.81 ALDH1A1 (0.52) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4843989 0.81 ALDH1A1 (0.49) ACHEALDH1A1KDM4EORAI1KMT2A
Hydrochloric Acid SCHEMBL4841000 0.81 KDM4E (0.49) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4837123 0.80 BCHE (0.48) ACHEALDH1A1KDM4EORAI1KMT2A
SCHEMBL4832794 0.80 ACHE (0.50) ACHEALDH1A1KDM4EORAI1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (4 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 ACHE 3190/4885ALDH1A1 2408/4885KDM4E 3205/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 ACHE 1271/4885ALDH1A1 2527/4885KDM4E 712/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885ALDH1A1 2261/4885KDM4E 3503/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885ALDH1A1 2261/4885KDM4E 3503/4885

“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.