Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3479657

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cc(F)ccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.34
ACKR3 P25106 2/20 0.33
HRH2 P25021 2/20 0.33
FAAH O00519 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
PRKAA2 P54646 1/20 0.32
BACE1 P56817 2/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL593222 0.96 JAK2 (0.34) ACKR3FAAHMMP1MMP9MMP13
SCHEMBL592322 0.89 PRKAA2 (0.35) ACKR3FAAHMMP1MMP9MMP13
SCHEMBL594333 0.89 FAAH (0.35) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL594222 0.89 MLNR (0.35) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593414 0.88 POLB (0.34) ACKR3FAAHMMP1MMP9MMP13
SCHEMBL13031014 0.88 BACE1 (0.36) ACKR3FAAHBACE1KCNH2MCHR1
SCHEMBL593704 0.88 ALDH1A1 (0.39) FAAHBACE1KCNH2
SCHEMBL592547 0.88 JAK2 (0.36) MMP1MMP9MMP13ADAM17JAK2
SCHEMBL13031022 0.87 BACE1 (0.39) JAK2JAK1AXLMERTKBACE1
SCHEMBL5478973 0.86 KCNH2 (0.38) ACKR3FAAHBACE1KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 GPR6 2206/4885ACKR3 4450/4885HRH2 3659/4885

“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.