Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111493

Nc1cccc(-c2ccc3c(n2)OCCNC3)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.33
SSTR4 P31391 6/20 0.32
FYN P06241 2/20 0.32
CHRNA7 P36544 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
MECP2 P51608 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL10200313 0.90 ALDH1A1 (0.38) SCN9AKDM4EMEN1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2110684 0.89 ASIC3 (0.36) SCN9ASSTR4CHRNA7ASIC3
Trifluoroacetic Acid SCHEMBL2109917 0.88 PIK3CA (0.37) SCN9ASSTR4CHRNA7ASIC3
Trifluoroacetic Acid SCHEMBL2111882 0.88 ASIC3 (0.46) SCN9AKDM4EMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2111610 0.88 KMO (0.40) SSTR4
Trifluoroacetic Acid SCHEMBL2110615 0.87 PARP10 (0.38) ALDH1A1FYN
Trifluoroacetic Acid SCHEMBL2111835 0.85 HSD17B10 (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
Trifluoroacetic Acid SCHEMBL2111062 0.84 CA12 (0.39) SCN9AMEN1KMT2ASSTR4CHRNA7
Trifluoroacetic Acid SCHEMBL2111603 0.84 SSTR4 (0.34) SSTR4
Trifluoroacetic Acid SCHEMBL2111967 0.83 NPC1 (0.43) MEN1MAPTKMT2AFYN

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 SCN9A 735/4885KDM4E 2572/4885MEN1 647/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B SCN9A 735/4885KDM4E 2572/4885MEN1 647/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B SCN9A 735/4885KDM4E 2572/4885MEN1 647/4885

“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.