Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1829978

Cn1c(-c2noc(C3CCNCC3)n2)nc2ccccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.58
ERG P11308 1/20 0.56
NR1H4 Q96RI1 1/20 0.43
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 SCHEMBL2158835 0.82 SMO (0.89) SMOERGTSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1831949 0.82 SMO (0.57) SMOERGALOX15TSHRNPC1
SCHEMBL1830874 0.81 SMO (0.74) SMOERG
SCHEMBL2158154 0.76 SMO (0.67) SMOERGSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2158044 0.75 SMO (0.90) SMOERG
Trifluoroacetic Acid SCHEMBL14158582 0.74 HTR4 (0.41) NR1H4LMNA
Trifluoroacetic Acid SCHEMBL26600435 0.74 EPHX2 (0.40) NR1H4
Trifluoroacetic Acid SCHEMBL6160506 0.73 LMNA (0.55) ALOX15LMNAMAPK1
Trifluoroacetic Acid SCHEMBL14157177 0.70 KHK (0.42) NR1H4
Trifluoroacetic Acid SCHEMBL19434241 0.69 USP7 (0.43) NR1H4

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-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
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMO 2/4885ERG 2205/4885NR1H4 149/4885

“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.