Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2108735

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc2c(nc1N1CCCCCC1)OCCNC2

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
IRAK4 Q9NWZ3 11/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PARP1 P09874 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 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 SCHEMBL2110573 0.99 HRH4 (0.41) HRH4HRH3IRAK4HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL2111857 0.90 HRH4 (0.45) HRH4HRH3IRAK4PARP1
SCHEMBL2109063 0.89 HTR2C (0.41) HRH4HTR2AHTR2CPARP1MAOB
SCHEMBL2110759 0.89 HTR2C (0.41) HRH4HTR2AHTR2CPARP1MAOB
Trifluoroacetic Acid SCHEMBL2110806 0.89 PARP1 (0.39) HRH4HRH3PARP1
SCHEMBL2113003 0.88 HTR2C (0.42) HRH4HTR2AHTR2CPARP1MAOB
Trifluoroacetic Acid SCHEMBL2110730 0.87 POLB (0.43) HRH4HRH3ADORA2A
Trifluoroacetic Acid SCHEMBL2110921 0.86 NR3C1 (0.39) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2111893 0.85 HRH4 (0.39) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2110393 0.85 L3MBTL1 (0.38) HRH4HRH3PARP1

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 HRH4 172/4885HRH3 462/4885IRAK4 3092/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HRH4 172/4885HRH3 462/4885IRAK4 3092/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HRH4 172/4885HRH3 462/4885IRAK4 3092/4885

“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.