Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL979243

Nc1ccccc1[C@@H]1CN(C2CC2)Cc2c(Cl)cc(Cl)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 4/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
DPP4 P27487 4/20 0.32
DPP7 Q9UHL4 3/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
PRCP P42785 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL978750 0.89 SLC9A3 (0.39) SLC9A3
SCHEMBL979823 0.89 SLC9A3 (0.39) SLC9A3
SCHEMBL977341 0.89 SLC9A3 (0.39) SLC9A3
Trifluoroacetic Acid SCHEMBL6757086 0.88 SLC9A3 (0.43) SLC9A3
SCHEMBL979244 0.79 SLC9A3 (0.33) SLC9A3
SCHEMBL4898996 0.78 SLC9A3 (0.36) SLC9A3
SCHEMBL4028962 0.77 SLC9A3 (0.46) SLC9A3
SCHEMBL4898991 0.76 SLC9A3 (0.36) SLC9A3
SCHEMBL4898994 0.74 NPC1 (0.35) SLC9A3SMN1; SMN2
SCHEMBL4899001 0.74 NPC1 (0.35) SLC9A3SMN1; SMN2

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-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A SLC9A3 2159/4885F2 786/4885F10 2296/4885

“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.