Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15069795

O=C(O)C(F)(F)F.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.41
ALK Q9UM73 1/20 0.40
MIF P14174 3/20 0.40
BACE1 P56817 2/20 0.39
CYP19A1 P11511 2/20 0.37
PLAT P00750 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
GLA P06280 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
USP28 Q96RU2 1/20 0.35
USP25 Q9UHP3 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
HTR6 P50406 1/20 0.35
ASAH1 Q13510 1/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL15069048 0.94 ALK (0.44) SLC16A3ALKMIFCYP19A1PLAT
Hydrochloric Acid SCHEMBL15069794 0.93 ALK (0.43) SLC16A3ALKMIFCYP19A1PLAT
SCHEMBL15086425 0.91 ALK (0.41) SLC16A3ALKMIFCYP19A1PLAT
Trifluoroacetic Acid SCHEMBL15069197 0.90 ALK (0.42) SLC16A3ALKMIFCYP19A1GLA
SCHEMBL15086461 0.84 ALK (0.45) SLC16A3ALKMIFCYP19A1GLA
SCHEMBL15086512 0.81 ALK (0.40) SLC16A3ALKMIFCYP19A1PLAT
SCHEMBL15068830 0.81 ALK (0.40) SLC16A3ALKMIFCYP19A1PLAT
SCHEMBL15086475 0.80 ALK (0.43) SLC16A3ALKMIFCYP19A1GLA
SCHEMBL15068868 0.79 MIF (0.41) ALKMIFCYP19A1PLATGLA
SCHEMBL21301333 0.79 MIF (0.41) ALKMIFCYP19A1PLATGLA

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-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US claimed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP claimed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US claimed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US claimed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 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 (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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 SLC16A3 4008/4885ALK 4482/4885MIF 4458/4885

“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.