Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2111835

COc1cccc(-c2ccc3c(n2)OCCNC3)c1.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 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CD274 Q9NZQ7 1/20 0.40
PIN1 Q13526 1/20 0.40
TYRO3 Q06418 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL10200298 0.91 CD274 (0.46) HSD17B10CYP1A2CYP2C9CYP2C19MAPK1
Trifluoroacetic Acid SCHEMBL2110684 0.87 ASIC3 (0.36)
Trifluoroacetic Acid SCHEMBL2110355 0.86 NAAA (0.40)
Trifluoroacetic Acid SCHEMBL2110615 0.86 PARP10 (0.38) TYRO3GSK3AGSK3BSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL2109917 0.86 PIK3CA (0.37) GSK3AGSK3B
Trifluoroacetic Acid SCHEMBL2111882 0.85 ASIC3 (0.46) PIN1KDM4EALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2111493 0.85 SCN9A (0.38) MAPTHPGDKDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL2111610 0.85 KMO (0.40) CYP2C19CYP3A4L3MBTL1PIN1
Trifluoroacetic Acid SCHEMBL2111062 0.84 CA12 (0.39) CYP1A2L3MBTL1SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2110640 0.83 PRKAB2 (0.36) HSD17B10CD274KDM4EALDH1A1MEN1

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 HSD17B10 2356/4885CYP1A2 151/4885CYP2C9 192/4885
US-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B HSD17B10 2356/4885CYP1A2 151/4885CYP2C9 192/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HSD17B10 2356/4885CYP1A2 151/4885CYP2C9 192/4885

“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.