Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111857

CN1CCN(c2ccc3c(n2)OCCNC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.45
HRH3 Q9Y5N1 5/20 0.45
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 2/20 0.37
ASIC3 Q9UHC3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTR3A P46098 3/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
CYP1A2 P05177 1/20 0.35
THPO P40225 1/20 0.35
WHR1 P49842 1/20 0.35
TACR1 P25103 1/20 0.34
UCHL3 P15374 1/20 0.34
IRAK4 Q9NWZ3 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
Trifluoroacetic Acid SCHEMBL2110573 0.91 HRH4 (0.41) HRH4HRH3IRAK4
Trifluoroacetic Acid SCHEMBL2108735 0.90 HRH4 (0.40) HRH4HRH3PARP1IRAK4
SCHEMBL10200047 0.89 HTR3A (0.42) HRH4HRH3KDM4EALDH1A1ASIC3
Trifluoroacetic Acid SCHEMBL2110393 0.89 L3MBTL1 (0.38) HRH4HRH3KDM4EALDH1A1PARP1
Trifluoroacetic Acid SCHEMBL2110730 0.88 POLB (0.43) HRH4HRH3KDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2111893 0.86 HRH4 (0.39) HRH4HRH3KDM4E
Trifluoroacetic Acid SCHEMBL2112551 0.85 CASP1 (0.43)
Trifluoroacetic Acid SCHEMBL2111885 0.84 CHRNA7 (0.36) HRH4HRH3PARP1
Trifluoroacetic Acid SCHEMBL2111487 0.84 CHRNA7 (0.36) HRH4HRH3KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2111477 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2

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 462/4885KDM4E 2572/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HRH4 172/4885HRH3 462/4885KDM4E 2572/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HRH4 172/4885HRH3 462/4885KDM4E 2572/4885

“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.