Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111709

FC(F)(F)c1ccccc1-c1ccc2c(n1)OCCNC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ATR Q13535 1/20 0.37
CNR2 P34972 1/20 0.36
SSTR4 P31391 6/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
C1R P00736 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL10200344 0.92 CNR2 (0.41) KMOATRCNR2SSTR4ALDH1A1
Trifluoroacetic Acid SCHEMBL2111767 0.87 SSTR4 (0.35) ATRSSTR4CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL2111707 0.86 SSTR4 (0.41) SSTR4ALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL2109938 0.82 SSTR4 (0.33) SSTR4
Trifluoroacetic Acid SCHEMBL2110708 0.82 SSTR4 (0.37) SSTR4ALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL2111976 0.81 SSTR4 (0.37) SSTR4
Trifluoroacetic Acid SCHEMBL2110957 0.81 SSTR4 (0.36) SSTR4
Trifluoroacetic Acid SCHEMBL2110684 0.80 ASIC3 (0.36) KMOSSTR4
Trifluoroacetic Acid SCHEMBL2111062 0.80 CA12 (0.39) L3MBTL1SSTR4CYP1A2
Trifluoroacetic Acid SCHEMBL2111688 0.79 SSTR4 (0.38) SSTR4CYP1A2CYP2C19

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 KMO 308/4885L3MBTL1 4527/4885ATR 4412/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B KMO 308/4885L3MBTL1 4527/4885ATR 4412/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B KMO 308/4885L3MBTL1 4527/4885ATR 4412/4885

“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.