Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111487

C[C@@H]1CN(c2ccc3c(n2)OCCNC3)C[C@H](C)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EIF2AK4 Q9P2K8 2/20 0.33
METAP2 P50579 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NR3C2 P08235 1/20 0.32
RBP4 P02753 1/20 0.32
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PGR P06401 1/20 0.31
GPR183 P32249 1/20 0.31
SMO Q99835 1/20 0.31

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
SCHEMBL10200096 0.90 KMT2A (0.42) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL10249412 0.90 KMT2A (0.42) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL17036181 0.90 KMT2A (0.42) KMT2AALDH1A1KDM4EGAAHPGD
Trifluoroacetic Acid SCHEMBL2111885 0.90 CHRNA7 (0.36) CHRNA7HRH4HRH3RBP4
Trifluoroacetic Acid SCHEMBL2111857 0.84 HRH4 (0.45) HRH4HRH3ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2110573 0.84 HRH4 (0.41) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2108735 0.83 HRH4 (0.40) HRH4HRH3
Trifluoroacetic Acid SCHEMBL2111893 0.82 HRH4 (0.39) HRH4HRH3KDM4EDPP4DPP8
Trifluoroacetic Acid SCHEMBL2110618 0.79 MCHR1 (0.40) CHRNA7HRH4HRH3ALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL2110730 0.79 POLB (0.43) HRH4HRH3ALDH1A1KDM4EGAA

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 CHRNA7 179/4885KMT2A 775/4885HRH4 172/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B CHRNA7 179/4885KMT2A 775/4885HRH4 172/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B CHRNA7 179/4885KMT2A 775/4885HRH4 172/4885

“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.