Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15068525

O=C(O)C(F)(F)F.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2cccc(C(F)(F)F)c2o1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.41
SLC16A3 O15427 1/20 0.41
MET P08581 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
S1PR1 P21453 6/20 0.39
BACE1 P56817 3/20 0.38
S1PR3 Q99500 3/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
FLT3 P36888 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16669959 0.95 C1R (0.43) C1RSLC16A3KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL15068709 0.94 C1R (0.42) C1RSLC16A3KDM4EALDH1A1CYP1A2
SCHEMBL15068906 0.89 ALDH1A1 (0.40) C1RKDM4EALDH1A1CYP1A2S1PR1
Trifluoroacetic Acid SCHEMBL15068701 0.87 BACE1 (0.42) SLC16A3ALDH1A1S1PR1BACE1S1PR3
SCHEMBL15086397 0.81 HRH4 (0.43) SLC16A3KDM4EALDH1A1HRH4NPC1
Hydrochloric Acid SCHEMBL15069015 0.81 HRH4 (0.42) SLC16A3KDM4EALDH1A1HRH4NPC1
Trifluoroacetic Acid SCHEMBL15069795 0.76 SLC16A3 (0.41) SLC16A3BACE1ACVR1BTGFBR1ACVRL1
SCHEMBL15068870 0.73 KDM4E (0.44) SLC16A3KDM4EALDH1A1S1PR1ACVR1
SCHEMBL15066816 0.73 HTR3E (0.43) SLC16A3KDM4EALDH1A1CYP1A2ACVR1B
Hydrochloric Acid SCHEMBL15069774 0.72 KDM4E (0.43) SLC16A3KDM4EALDH1A1S1PR1ACVR1

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 6 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
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 C1R 3920/4885SLC16A3 4008/4885MET 4312/4885

“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.