Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1460134

CN(C(=O)N1CCN(c2nc(-c3ccc4ccccc4n3)ns2)CC1)C1CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMO Q99835 6/20 0.39
FAAH O00519 10/20 0.37
KCNH2 Q12809 1/20 0.37
IRAK4 Q9NWZ3 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
Trifluoroacetic Acid SCHEMBL1458902 0.86 RAB9A (0.48) NPC1RAB9ASMOFAAH
SCHEMBL1460137 0.78 CNR2 (0.41) CNR2NPC1RAB9AFAAH
Trifluoroacetic Acid SCHEMBL14716245 0.77 SMO (0.61) NPC1RAB9ASMOFAAH
SCHEMBL1458340 0.76 FAAH (0.51) NPC1RAB9AFAAH
SCHEMBL14716258 0.71 SMO (0.69) NPC1RAB9ASMOFAAH
SCHEMBL1458906 0.69 RAB9A (0.42) NPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL1458346 0.65 KDM4E (0.52) NPC1RAB9A
SCHEMBL3084495 0.63 CNR2 (1.00) CNR2NPC1RAB9AFAAH
Trifluoroacetic Acid SCHEMBL2158204 0.63 SMO (0.90) SMO
Trifluoroacetic Acid SCHEMBL14716442 0.63 SMO (0.57) CNR2SMO

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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US claimed
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP claimed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 WO claimed
US-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US disclosed
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 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 (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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 CNR2 1125/4885NPC1 2969/4885RAB9A 1472/4885

“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.