Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2109930

Fc1ccc(-c2ccc3c(n2)OCCNC3)cc1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.42
HSD17B14 Q9BPX1 1/20 0.36
CASP1 P29466 1/20 0.35
ABL1 P00519 1/20 0.35
RPA1 P27694 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PRCP P42785 1/20 0.34
S1PR1 P21453 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
SSTR4 P31391 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TTR P02766 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TDP2 O95551 1/20 0.33
PGR P06401 1/20 0.33
CHRM1 P11229 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
SCHEMBL10200221 0.92 NISCH (0.39) KMOHSD17B14CASP1ABL1S1PR1
Trifluoroacetic Acid SCHEMBL2112252 0.87 ASIC3 (0.37) KMOPRCPS1PR1SSTR4
Trifluoroacetic Acid SCHEMBL2111610 0.87 KMO (0.40) KMOCNR2SSTR4
Trifluoroacetic Acid SCHEMBL2111852 0.85 SSTR4 (0.39) RPA1PRCPSSTR4
Trifluoroacetic Acid SCHEMBL2111062 0.83 CA12 (0.39) SSTR4
Trifluoroacetic Acid SCHEMBL2110333 0.82 DPP4 (0.41) SSTR4
Trifluoroacetic Acid SCHEMBL2109926 0.82 KDM4E (0.41)
Trifluoroacetic Acid SCHEMBL2110684 0.82 ASIC3 (0.36) KMOSSTR4
Trifluoroacetic Acid SCHEMBL2109917 0.81 PIK3CA (0.37) HSD17B14SSTR4
Trifluoroacetic Acid SCHEMBL2111688 0.81 SSTR4 (0.38) ABL1SSTR4

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 308/4885HSD17B14 1320/4885CASP1 1411/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B KMO 308/4885HSD17B14 1320/4885CASP1 1411/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B KMO 308/4885HSD17B14 1320/4885CASP1 1411/4885

“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.