Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111852

Fc1ccc(-c2ccc3c(n2)OCCNC3)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.39
PRCP P42785 1/20 0.37
ASIC1 P78348 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM1A O60341 1/20 0.34
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
RPA1 P27694 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
SCHEMBL2110562 0.90 MAPK13 (0.36) SSTR4
Trifluoroacetic Acid SCHEMBL2112930 0.88 MAP2K3 (0.36) SSTR4KDM1ASCN9ACHRNA7
Trifluoroacetic Acid SCHEMBL2110512 0.88 IKBKB (0.36) KDM4EALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL2110677 0.87 DHODH (0.37) HDAC1HDAC2SCN9A
Trifluoroacetic Acid SCHEMBL2110537 0.87 PARP1 (0.35) SSTR4CHRNA7PARP1
Trifluoroacetic Acid SCHEMBL2109430 0.87 SLC22A12 (0.33) SSTR4CHRNA7
Trifluoroacetic Acid SCHEMBL2113143 0.85 ALDH1A1 (0.40) KDM4EALDH1A1RAB9AHPGDNPC1
Trifluoroacetic Acid SCHEMBL2109930 0.85 KMO (0.42) SSTR4PRCPRPA1
Trifluoroacetic Acid SCHEMBL2111062 0.84 CA12 (0.39) SSTR4KDM1ASMN1; SMN2CA12ALPL
Trifluoroacetic Acid SCHEMBL2110378 0.84 STING1 (0.32) SSTR4

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 SSTR4 87/4885PRCP 3054/4885ASIC1 1114/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B SSTR4 87/4885PRCP 3054/4885ASIC1 1114/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B SSTR4 87/4885PRCP 3054/4885ASIC1 1114/4885

“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.