Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1064404

CCCCOc1c(C(=O)NCCN(CC)CC)sc2c1c(=O)n(C)c1ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TP53 P04637 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.47
UBE2N P61088 1/20 0.47
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 4/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 1/20 0.45
MITF O75030 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EGFR P00533 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL10314360 0.94 KMT2A (0.59) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1060944 0.92 KMT2A (0.52) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1062540 0.91 TP53 (0.43) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1061843 0.91 TP53 (0.47) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1062326 0.91 KMT2A (0.53) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1062888 0.89 TP53 (0.53) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1062038 0.88 KMT2A (0.48) KMT2ATP53MAPTMEN1UBE2N
Trifluoroacetic Acid SCHEMBL1061047 0.88 KMT2A (0.47) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1060993 0.87 KMT2A (0.50) KMT2ATP53MAPTNPSR1MEN1
Trifluoroacetic Acid SCHEMBL1062587 0.87 SGMS2 (0.42) KMT2ATP53MAPTNPSR1MEN1

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 KMT2A 453/4885TP53 3556/4885MAPT 4789/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885TP53 3584/4885MAPT 4727/4885

“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.