Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4684972

COC(=O)C(=Cc1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2ccncc2)c1)NC(C)=O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.35
CTSS P25774 5/20 0.35
CTSV O60911 1/20 0.35
GPR132 Q9UNW8 6/20 0.34
SLC2A1 P11166 1/20 0.32
CTSB P07858 6/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HDAC1 Q13547 1/20 0.32
AURKA O14965 1/20 0.31
ROCK2 O75116 1/20 0.31
CTSF Q9UBX1 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
Trifluoroacetic Acid SCHEMBL4684645 0.94 CTSL (0.38) CTSLCTSSCTSVGPR132CTSB
Trifluoroacetic Acid SCHEMBL4681491 0.93 SLC2A1 (0.34) CTSLCTSSSLC2A1CTSBHDAC1
SCHEMBL4685038 0.92 KAT6A (0.36) CTSLCTSSCTSBFNTAFNTB
SCHEMBL4687000 0.92 KAT6A (0.36) CTSLCTSSCTSBFNTAFNTB
SCHEMBL4686997 0.92 KAT6A (0.36) CTSLCTSSCTSBFNTAFNTB
Trifluoroacetic Acid SCHEMBL4681505 0.90 F10 (0.38) CTSLCTSSSLC2A1CTSB
Trifluoroacetic Acid SCHEMBL4681030 0.86 PIN1 (0.33)
SCHEMBL4685358 0.86 CYP3A4 (0.32) GPR132FNTAFNTBHDAC1
SCHEMBL4685355 0.86 CYP3A4 (0.32) GPR132FNTAFNTBHDAC1
SCHEMBL4685353 0.86 CYP3A4 (0.32) GPR132FNTAFNTBHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 CTSL 703/4885CTSS 1896/4885CTSV 1871/4885

“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.