Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2158347

Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2cc(F)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.74
ERG P11308 1/20 0.38
KCNH2 Q12809 1/20 0.37
PTGES O14684 1/20 0.36
GPR6 P46095 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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 SCHEMBL2158300 0.94 SMO (0.74) SMOERGPTGESMAPTLMNA
SCHEMBL1831147 0.80 SMO (0.54) SMOERGKCNH2MAPTLMNA
Trifluoroacetic Acid SCHEMBL2158204 0.77 SMO (0.90) SMOERG
SCHEMBL2158836 0.77 SMO (1.00) SMOERG
Trifluoroacetic Acid SCHEMBL2158485 0.76 SMO (0.71) SMOERGPTGES
SCHEMBL1833368 0.73 SMO (0.54) SMOERGMAPTLMNAHTT
Trifluoroacetic Acid SCHEMBL2158835 0.70 SMO (0.89) SMOERGKCNH2
Hydrochloric Acid SCHEMBL1837642 0.70 SMO (0.43) SMOKCNH2MAPT
Trifluoroacetic Acid SCHEMBL2158258 0.70 SMO (0.88) SMOERGKCNH2
Trifluoroacetic Acid SCHEMBL1831949 0.68 SMO (0.57) SMOERGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMO 2/4885ERG 2205/4885KCNH2 3528/4885

“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.