Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4684645

COC(=O)C(=Cc1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2cccnc2)c1)NC(C)=O.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.38
CTSB P07858 5/20 0.38
CTSS P25774 5/20 0.38
CTSV O60911 1/20 0.36
GPR132 Q9UNW8 12/20 0.35
CMKLR2 P46091 1/20 0.34
CMKLR1 Q99788 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HDAC1 Q13547 1/20 0.33
ELANE P08246 1/20 0.33

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 SCHEMBL4684972 0.94 CTSL (0.35) CTSLCTSBCTSSCTSVGPR132
Trifluoroacetic Acid SCHEMBL4681491 0.91 SLC2A1 (0.34) CTSLCTSBCTSSHDAC1ELANE
SCHEMBL4687000 0.89 KAT6A (0.36) CTSLCTSBCTSSHDAC1
SCHEMBL4686997 0.89 KAT6A (0.36) CTSLCTSBCTSSHDAC1
SCHEMBL4685038 0.89 KAT6A (0.36) CTSLCTSBCTSSHDAC1
Trifluoroacetic Acid SCHEMBL4681505 0.88 F10 (0.38) CTSLCTSBCTSS
Trifluoroacetic Acid SCHEMBL4681030 0.85 PIN1 (0.33)
SCHEMBL4685358 0.85 CYP3A4 (0.32) GPR132CYP11B1CYP11B2HDAC1
SCHEMBL4685353 0.85 CYP3A4 (0.32) GPR132CYP11B1CYP11B2HDAC1
SCHEMBL4685355 0.85 CYP3A4 (0.32) GPR132CYP11B1CYP11B2HDAC1

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 703/4885CTSB 1825/4885CTSS 1896/4885

“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.