Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL588954

N[C@@H](CO)Cc1ccoc1.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
DPP4 P27487 2/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALOX5 P09917 1/20 0.43
GRB2 P62993 1/20 0.40
CPB2 Q96IY4 1/20 0.38
PTPN1 P18031 2/20 0.38
TPH1 P17752 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
ANPEP P15144 2/20 0.36
ENPEP Q07075 2/20 0.36
EPHX1 P07099 1/20 0.35
CPA1 P15085 1/20 0.35
SLC7A5 Q01650 2/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
XIAP P98170 1/20 0.34
MMP2 P08253 2/20 0.34

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
SCHEMBL4063752 0.87 DPP4 (0.47) DPP4SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL588955 0.78 DPP4 (0.43) DPP4SLC1A3SLC1A2SLC1A1ALOX5
Trifluoroacetic Acid SCHEMBL4544157 0.76 SLC6A4 (0.58) DPP4GRB2PTPN1ANPEPENPEP
Trifluoroacetic Acid SCHEMBL27504179 0.74 KEAP1 (0.46) SLC1A3SLC1A2SLC1A1ALOX5CPB2
SCHEMBL537570 0.74 SLC7A5 (0.58) DPP4SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL537569 0.74 SLC7A5 (0.58) DPP4SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL588601 0.74 SLC7A5 (0.58) DPP4SLC1A3SLC1A2SLC1A1ALOX5
Trifluoroacetic Acid SCHEMBL4358439 0.73 GRB2 (0.40) DPP4SLC1A1GRB2PTPN1ANPEP
Trifluoroacetic Acid SCHEMBL4358433 0.73 GRB2 (0.40) DPP4SLC1A1GRB2PTPN1ANPEP
SCHEMBL2671472 0.72 CYP1A2 (0.46) DPP4SLC1A3SLC1A2SLC1A1ALOX5

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
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 DPP4 19/4885SLC1A3 3978/4885SLC1A2 4326/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT DPP4 920/4885SLC1A3 3099/4885SLC1A2 3054/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT DPP4 1190/4885SLC1A3 3244/4885SLC1A2 3410/4885

“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.