Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4518616

Cc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)n(CC(=O)N3CCN(C)CC3)c3ccccc23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
EGFR P00533 1/20 0.37
TYMS P04818 1/20 0.37
LTA4H P09960 1/20 0.37
VDR P11473 1/20 0.37
SRC P12931 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSK P43235 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
TPSAB1 Q15661 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GPR6 P46095 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
SCHEMBL4709394 0.88 PTGS2 (0.43) MAPTPTGS2GRIN1GRIN2BEGFR
Trifluoroacetic Acid SCHEMBL4505995 0.87 UBE2N (0.45) SMN1; SMN2LMNAL3MBTL1POLBKMT2A
Hydrochloric Acid SCHEMBL4516561 0.86 TSHR (0.47) MAPTSMN1; SMN2TSHRTLR9TLR8
SCHEMBL4774098 0.85 PTGDR2 (0.41) MAPTPTGS2EGFRTYMSLTA4H
Hydrochloric Acid SCHEMBL4516965 0.85 KDM4E (0.44) PTGS2GRIN2BEGFRTYMSLTA4H
SCHEMBL4709041 0.84 PTGS2 (0.40) MAPTPTGS2EGFRTYMSLTA4H
SCHEMBL4514740 0.82 HTR2A (0.39) MAPTSMN1; SMN2OPRM1OPRL1TLR9
SCHEMBL4518304 0.80 CYP3A4 (0.42) OPRM1OPRL1TLR9TLR8TLR7
SCHEMBL5421524 0.80 ALDH1A1 (0.42) MAPTTLR9POLBMCHR1
Hydrochloric Acid SCHEMBL5417840 0.79 ALDH1A1 (0.41) MAPTTSHRTLR9POLBMCHR1

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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 MAPT 3308/4885PTGS2 3441/4885GRIN1 64/4885

“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.