Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6897031

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCNCC1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.38
SLC2A1 P11166 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL62990 0.88 HSD17B10 (0.52) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
SCHEMBL337070 0.88 HSD17B10 (0.52) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
SCHEMBL472190 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
SCHEMBL306395 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
Hydrochloric Acid SCHEMBL31505485 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
Hydrochloric Acid SCHEMBL4441607 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
SCHEMBL472213 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
Hydrochloric Acid SCHEMBL1373260 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
Water SCHEMBL4953290 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C
SCHEMBL29299554 0.86 CHRM5 (0.50) SIGMAR1CHRM5CHRM3HSD17B10KDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 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 (1 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH SIGMAR1 26/4885CHRM5 172/4885CHRM3 277/4885

“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.