Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2999604

O=C(O)C(F)(F)F.O=CCN1CCOCC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.45
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.38
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 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
SCHEMBL165786 0.82
Hydrochloric Acid SCHEMBL29956587 0.80 USP2 (0.44) HSD17B10GLASMN1; SMN2KDM4EALOX15
SCHEMBL258344 0.80 USP2 (0.44) HSD17B10GLASMN1; SMN2KDM4EALOX15
SCHEMBL27018306 0.79 HSD17B10 (0.69) HSD17B10GLASMN1; SMN2KDM4EALOX15
SCHEMBL27303608 0.79 HSD17B10 (0.69) HSD17B10GLASMN1; SMN2KDM4EALOX15
SCHEMBL26272100 0.79 HSD17B10 (0.69) HSD17B10GLASMN1; SMN2KDM4EALOX15
Hydrochloric Acid SCHEMBL1430281 0.78 USP2 (0.43) HSD17B10GLASMN1; SMN2KDM4EALOX15
Trifluoroacetic Acid SCHEMBL6284934 0.78 HSD17B10 (0.74) KCNJ1HSD17B10GLASMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL18497587 0.77 KCNJ1 (0.41) KCNJ1HSD17B10GLAKDM4EL3MBTL1
Trifluoroacetic Acid SCHEMBL28959686 0.76 L3MBTL1 (0.41) KCNJ1HSD17B10GLASMN1; SMN2L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 WO disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US 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 (2 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KCNJ1 2093/4885HSD17B10 2665/4885GLA 1057/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KCNJ1 2369/4885HSD17B10 3076/4885GLA 1139/4885

“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.