Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1691777

O=C(O)C(F)(F)F.OCc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PRNP P04156 3/20 0.43
▸ GABRB2 P47870 5/20 0.42
▸ GABRA1 P14867 4/20 0.42
▸ GABRA2 P47869 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ ADRA1A P35348 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL1691729 0.91 GABRA2 (0.50) SLC2A1GABRB2GABRA2ALBOPRK1
SCHEMBL1691573 0.88 SLC2A1 (0.52) SLC2A1NPC1GAARAB9AGFER
SCHEMBL1691380 0.83 GABRA1 (0.52) SLC2A1NPC1GAARAB9AGFER
SCHEMBL14632080 0.82 AKT1 (0.43) SLC2A1NPC1GAARAB9AGFER
SCHEMBL1691844 0.82 SLC2A1 (0.51) SLC2A1NPC1RAB9AGFERPRNP
SCHEMBL1691778 0.81 NPC1 (0.43) SLC2A1NPC1GAARAB9AGFER
Trifluoroacetic Acid SCHEMBL1691916 0.81 CASP3 (0.43) NPC1RAB9AKCNK3KCNK9
SCHEMBL1691416 0.80 PRNP (0.50) SLC2A1PRNPGABRB2GABRA1KCNK3
SCHEMBL14632132 0.80 MCHR1 (0.42) SLC2A1NPC1GAARAB9AGFER
SCHEMBL1692145 0.78 ALDH1A1 (0.58) SLC2A1GABRB2GABRA2KDM4EALB

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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US claimed
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS BIOVITRUM AB (PUBL) (SE) 2015-08-27 — — US disclosed
US-20140206662-A1 Imidazopyridine Compounds PROXIMAGEN LTD. (GB) 2014-07-24 — — US disclosed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 — — EP disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 — — US disclosed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 — — EP disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 — — WO 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 (4 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-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 SLC2A1 1801/4885NPC1 1153/4885GAA 114/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 SLC2A1 1772/4885NPC1 1746/4885GAA 10/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 SLC2A1 1801/4885NPC1 1153/4885GAA 114/4885
US-20140206662-A1 Imidazopyridine Compounds SSB, NFKBIA, TPMT SLC2A1 2328/4885NPC1 2286/4885GAA 474/4885

“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.

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