Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14719213

CNc1ccc(-c2cn3ccccc3n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
KDM4E B2RXH2 14/20 0.56
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 11/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 7/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 12/20 0.54
POLB P06746 4/20 0.54
PKM P14618 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GFER P55789 2/20 0.53

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
SCHEMBL12799208 0.87 RAB9A (0.65) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL1662102 0.83 KDM4E (0.63) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL1494782 0.79 KDM4E (0.75) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL4728069 0.78 NPC1 (0.67) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL19322176 0.77 KDM4E (0.82) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL1661152 0.76 RAB9A (0.55) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL3440250 0.76 NPC1 (0.67) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL30366944 0.76 RAB9A (0.69) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL1494939 0.76 ALDH1A1 (0.77) PTGS1PTGS2KDM4EMAPTNPSR1
SCHEMBL13325909 0.76 RAB9A (0.83) PTGS1PTGS2KDM4EMAPTNPSR1

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
EP-2491009-B1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-8614238-B2 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-24 US disclosed
US-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use CPT1A, FASN, CES1 PTGS1 11/4885PTGS2 97/4885KDM4E 2941/4885

“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.