Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4958585

NC[C@H](NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCNC(=O)OCc3ccccc3)cc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.64
MMP9 P14780 13/20 0.64
MMP1 P03956 3/20 0.59
MMP3 P08254 2/20 0.59
MMP7 P09237 2/20 0.59
MMP13 P45452 2/20 0.59
ADAMTS4 O75173 1/20 0.51
F2 P00734 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MMP14 P50281 3/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
CASP1 P29466 1/20 0.46
ADAM10 O14672 2/20 0.45
ADAM17 P78536 2/20 0.45

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
SCHEMBL4958790 0.94 MMP2 (0.70) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4958594 0.90 MMP2 (0.57) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14271497 0.87 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL7649357 0.82 MMP2 (0.65) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4958777 0.81 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5139951 0.81 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14289008 0.77 MMP2 (0.57) MMP2MMP9MMP1MMP3MMP7
SCHEMBL9276844 0.76 PRMT1 (0.59) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7370003 0.76 MMP2 (0.72) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6073739 0.75 MMP2 (0.61) MMP2MMP9MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 MMP2 2824/4885MMP9 2851/4885MMP1 1249/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2529/4885MMP9 2180/4885MMP1 1065/4885

“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.