Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1060030

CCN(CC)C(=O)c1sc2c(c1OCCN1CCOCC1)c(=O)n(C)c1ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 6/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SGMS2 Q8NHU3 2/20 0.37
SGMS1 Q86VZ5 1/20 0.37
POLB P06746 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
CNR2 P34972 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL10314399 0.94 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1061326 0.93 TP53 (0.39) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1062093 0.90 MEN1 (0.39) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1063002 0.90 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1062331 0.89 TP53 (0.47) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1062161 0.88 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1059870 0.88 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL10314406 0.87 TP53 (0.41) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL1062038 0.86 KMT2A (0.48) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL12962867 0.86 MEN1 (0.43) KDM4EALDH1A1HSD17B10HPGDMAPK1

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 745/4885HSD17B10 256/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885ALDH1A1 776/4885HSD17B10 222/4885

“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.