Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111882

FC(F)(F)c1cccc(-c2ccc3c(n2)OCCNC3)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.46
KMO O15229 2/20 0.45
PIN1 Q13526 1/20 0.41
KDM1A O60341 3/20 0.40
SCN9A Q15858 1/20 0.40
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
XDH P47989 1/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL10200337 0.92 ASIC3 (0.53) ASIC3KMOKDM1ASCN9AMEN1
Trifluoroacetic Acid SCHEMBL2110684 0.89 ASIC3 (0.36) ASIC3KMOSCN9APIK3CA
Trifluoroacetic Acid SCHEMBL2109917 0.88 PIK3CA (0.37) ASIC3KDM1ASCN9APIK3CA
Trifluoroacetic Acid SCHEMBL2111610 0.88 KMO (0.40) KMOPIN1CNR2
Trifluoroacetic Acid SCHEMBL2111493 0.88 SCN9A (0.38) ASIC3SCN9AMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2110615 0.87 PARP10 (0.38) ALDH1A1PARP10PARP11
Trifluoroacetic Acid SCHEMBL2111835 0.85 HSD17B10 (0.42) PIN1MEN1KMT2AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2111062 0.84 CA12 (0.39) KDM1ASCN9AMEN1KMT2APIK3CA
Trifluoroacetic Acid SCHEMBL2111967 0.83 NPC1 (0.43) MEN1KMT2ACNR2POLBPIK3CA
Trifluoroacetic Acid SCHEMBL2111637 0.83 L3MBTL1 (0.41) PIK3CA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
EP-2018863-B9 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2015-02-18 EP disclosed
EP-2018863-B1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2742936-A1 Fused heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2727585-A1 In-vivo screening method Takeda Pharmaceutical Company Limited (JP) 2014-05-07 EP disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 US disclosed
US-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 US disclosed
EP-2018863-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP 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 (3 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-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ASIC3 969/4885KMO 308/4885PIN1 3395/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B ASIC3 969/4885KMO 308/4885PIN1 3395/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B ASIC3 969/4885KMO 308/4885PIN1 3395/4885

“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.