Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL974255

O=C(O)C(F)(F)F.[O-][S+]1CCc2nc(N3CCC(c4nc(-c5ccncc5)no4)CC3)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 6/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TSHR P16473 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL186976 0.94 CNR2 (0.42) SCN9ASMN1; SMN2LMNAHTTMEN1
SCHEMBL12921306 0.90 SCN9A (0.46) SCN9ASMN1; SMN2LMNAHTTMEN1
Trifluoroacetic Acid SCHEMBL974256 0.88 WHR1 (0.39) SCN9ALMNAMAPTALDH1A1POLB
SCHEMBL8053453 0.86 GPR119 (0.44) SCN9ASMN1; SMN2LMNAHTTMEN1
SCHEMBL8060934 0.82 KDM4E (0.39) SCN9AMEN1KMT2AEPHX2KDM4E
Trifluoroacetic Acid SCHEMBL975654 0.82 SMN1; SMN2 (0.43) SCN9ASMN1; SMN2LMNAHTTMAPT
SCHEMBL187911 0.81 LMNA (0.37) SCN9ALMNAKDM4EALDH1A1POLB
SCHEMBL12209258 0.80 SCN9A (0.46) SCN9AEPHX2KCNH2CNR2KDM4E
Trifluoroacetic Acid SCHEMBL17019876 0.79 TRPV1 (0.37) SCN9ALMNAMEN1KMT2AKCNH2
SCHEMBL12921272 0.77 NPC1 (0.42) SCN9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SCN9A 3425/4885SMN1; SMN2 338/4885LMNA 4790/4885

“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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