Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2809564

Nc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Br)cc4C(F)(F)F)cn3)CC2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
BDKRB1 P46663 1/20 0.32
PTK2 Q05397 2/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
HDAC1 Q13547 2/20 0.31
KIT P10721 1/20 0.31
CTSK P43235 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
METTL3 Q86U44 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL13128577 0.97 CNR2 (0.36) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL186398 0.89 HDAC1 (0.35) CNR2BDKRB1PTK2CTSLCTSS
SCHEMBL186154 0.89 CNR2 (0.37) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL185785 0.88 EPHX2 (0.41) CNR2BDKRB1PTK2CTSLKDM4E
SCHEMBL185963 0.88 FPR2 (0.39) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL185691 0.87 CNR2 (0.38) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL186861 0.87 CNR2 (0.37) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL2806916 0.86 CNR2 (0.37) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL2805326 0.86 CNR2 (0.37) CNR2BDKRB1PTK2CTSLCTSB
SCHEMBL186671 0.86 CNR2 (0.37) CNR2BDKRB1PTK2CTSLCTSB

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885PTK2 3921/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885PTK2 3921/4885

“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.