Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111707

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2c(-c3ccc4c(n3)OCCNC4)cccc2c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 14/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM6B O15054 1/20 0.38
FTO Q9C0B1 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SSTR1 P30872 3/20 0.35
SSTR2 P30874 3/20 0.35
SSTR3 P32745 3/20 0.35
SSTR5 P35346 3/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL10200376 0.90 SSTR4 (0.38) SSTR4KDM4EALDH1A1HPGDKDM6B
Trifluoroacetic Acid SCHEMBL2111767 0.88 SSTR4 (0.35) SSTR4
Trifluoroacetic Acid SCHEMBL2110957 0.86 SSTR4 (0.36) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL2111709 0.86 KMO (0.43) SSTR4KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2109938 0.83 SSTR4 (0.33) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL2111976 0.82 SSTR4 (0.37) SSTR4
Trifluoroacetic Acid SCHEMBL2110333 0.82 DPP4 (0.41) SSTR4KDM4EHPGD
Trifluoroacetic Acid SCHEMBL2110684 0.82 ASIC3 (0.36) SSTR4
Trifluoroacetic Acid SCHEMBL3283905 0.81 SSTR4 (0.53) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL2110708 0.81 SSTR4 (0.37) SSTR4KDM4EALDH1A1HPGDMEN1

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 87/4885KDM4E 2572/4885ALDH1A1 822/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B SSTR4 87/4885KDM4E 2572/4885ALDH1A1 822/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B SSTR4 87/4885KDM4E 2572/4885ALDH1A1 822/4885

“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.