Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1057967

CN1CCN(C(=O)c2sc3c(c2OCC2CCCO2)c(=O)n(C)c2ccccc32)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 4/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SCD O00767 1/20 0.36
PARP1 P09874 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10314419 0.95 KDM4E (0.44) KDM4EALDH1A1HPGDKMT2AMEN1
Trifluoroacetic Acid SCHEMBL1061968 0.90 HSD17B10 (0.45) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1062606 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1058581 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1062762 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10314422 0.85 HSD17B10 (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
Trifluoroacetic Acid SCHEMBL1062901 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL1062406 0.84 ALDH1A1 (0.45) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL1062740 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDKMT2AMEN1
Trifluoroacetic Acid SCHEMBL1063639 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AMEN1

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
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 528/4885ALDH1A1 745/4885HPGD 920/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885ALDH1A1 776/4885HPGD 953/4885

“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.