Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1063314

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 8/20 0.41
SGMS1 Q86VZ5 6/20 0.41
TP53 P04637 3/20 0.38
KMT2A Q03164 2/20 0.38
KCNA5 P22460 1/20 0.36
MAPT P10636 2/20 0.36
HDAC6 Q9UBN7 5/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL1063419 0.95 TP53 (0.43) SGMS2SGMS1TP53KMT2AMAPT
SCHEMBL10314389 0.95 KMT2A (0.42) SGMS2SGMS1TP53KMT2AKCNA5
Trifluoroacetic Acid SCHEMBL1058125 0.90 SGMS2 (0.42) SGMS2SGMS1TP53KCNA5MAPT
SCHEMBL10314355 0.90 TP53 (0.46) SGMS2SGMS1TP53KMT2AMAPT
Trifluoroacetic Acid SCHEMBL1061423 0.89 TP53 (0.50) SGMS2SGMS1TP53HDAC6HDAC1
Trifluoroacetic Acid SCHEMBL1063462 0.89 SGMS2 (0.41) SGMS2SGMS1TP53KMT2AMAPT
Trifluoroacetic Acid SCHEMBL1060993 0.88 KMT2A (0.50) TP53KMT2AMAPTHDAC6HDAC1
Trifluoroacetic Acid SCHEMBL1062497 0.87 SGMS2 (0.42) SGMS2SGMS1TP53MAPTHDAC6
Trifluoroacetic Acid SCHEMBL1062587 0.87 SGMS2 (0.42) SGMS2SGMS1TP53KMT2AMAPT
Trifluoroacetic Acid SCHEMBL1063966 0.87 KMT2A (0.43) SGMS2SGMS1TP53KMT2AMAPT

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 1367/4885TP53 3556/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SGMS2 1493/4885SGMS1 1539/4885TP53 3584/4885

“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.