Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1770197

COC(=O)[C@@H](N)CNC(=O)c1ccc(Cl)s1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 2/20 0.44
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2C Q14957 2/20 0.41
F10 P00742 3/20 0.40
HDAC3 O15379 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL1770887 0.92 MAPK1 (0.52) MAPK1HPGDALDH1A1CASP1POLB
SCHEMBL1770888 0.92 MAPK1 (0.52) MAPK1HPGDALDH1A1CASP1POLB
Hydrochloric Acid SCHEMBL29197847 0.91 MAPK1 (0.51) MAPK1HPGDALDH1A1CASP1POLB
SCHEMBL1770707 0.75 MAPK1 (0.43) MAPK1HPGDALDH1A1CASP1POLB
SCHEMBL1770705 0.75 MAPK1 (0.43) MAPK1HPGDALDH1A1CASP1POLB
SCHEMBL8280724 0.74 MAPK1 (0.59) MAPK1HPGDTSHRNPSR1F10
SCHEMBL5624977 0.73 MAPK1 (0.51) MAPK1HPGDHDAC4HDAC1HDAC6
SCHEMBL27691759 0.73 MAPK1 (0.55) MAPK1HPGDALDH1A1CASP1TSHR
SCHEMBL15203328 0.73 MAPK1 (0.55) MAPK1HPGDALDH1A1CASP1HDAC4
SCHEMBL28801511 0.73 MAPK1 (0.57) MAPK1HPGDALDH1A1CASP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378092-B2 Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI (FR) 2013-02-19 US disclosed
EP-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed
US-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-2254881-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009103440-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2009-08-27 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 (1 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-20110112075-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN F12, F3, F2 MAPK1 3632/4885HPGD 2830/4885ALDH1A1 2562/4885

“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.