Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL850466

COc1ccc(C2=NC3(CCNCC3)C(=O)N2)cc1C(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 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
S1PR1 P21453 5/20 0.37
S1PR5 Q9H228 1/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
MGLL Q99685 2/20 0.35
ITGB2 P05107 4/20 0.34
ICAM1 P05362 4/20 0.34
ITGAL P20701 4/20 0.34
LRRK2 Q5S007 2/20 0.34
SLC6A9 P48067 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KCNH2 Q12809 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL13551869 0.94 CTSS (0.39) S1PR1CTSSCTSKLRRK2KCNH2
Trifluoroacetic Acid SCHEMBL849858 0.81 SLC13A5 (0.40) PKM
SCHEMBL13551870 0.79 CFTR (0.42) MGLLITGB2ICAM1ITGAL
SCHEMBL13064576 0.78 AR (0.41)
Trifluoroacetic Acid SCHEMBL3881272 0.78 ATM (0.41)
SCHEMBL13064674 0.77 PDE3B (0.44)
SCHEMBL13064670 0.76 KIF11 (0.40)
Trifluoroacetic Acid SCHEMBL848630 0.72 APP (0.41)
SCHEMBL879731 0.71 NISCH (0.45) KCNH2
SCHEMBL879630 0.70 TSHR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PKM 598/4885S1PR1 365/4885S1PR5 497/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PKM 598/4885S1PR1 365/4885S1PR5 497/4885

“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.