Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1063462

CCN(CC)C(=O)c1sc2c(c1OCc1ccncc1)c(=O)n(C)c1ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.41
SGMS1 Q86VZ5 3/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 3/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC1 Q13547 4/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ADORA2B P29275 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL10314375 0.94 HDAC6 (0.41) SGMS2SGMS1MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1063484 0.93 TP53 (0.41) SGMS2SGMS1MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1062497 0.90 SGMS2 (0.42) SGMS2SGMS1MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1063314 0.89 SGMS2 (0.41) SGMS2SGMS1MAPTKDM4EALDH1A1
SCHEMBL1060880 0.89 TP53 (0.46) SGMS2SGMS1MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1061423 0.89 TP53 (0.50) SGMS2SGMS1POLBTP53HDAC6
Trifluoroacetic Acid SCHEMBL1061961 0.87 HDAC6 (0.44) SGMS2SGMS1KDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL1058125 0.87 SGMS2 (0.42) SGMS2SGMS1MAPTPOLBTP53
SCHEMBL10314382 0.87 TP53 (0.42) SGMS2SGMS1KDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL1060993 0.86 KMT2A (0.50) MAPTKDM4EALDH1A1POLBTP53

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 SGMS2 1431/4885SGMS1 1367/4885MAPT 4789/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SGMS2 1493/4885SGMS1 1539/4885MAPT 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.