SCHEMBL12475340

SCHEMBL12475340

C[C@H](N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.54
▸ MME P08473 4/20 0.53
▸ ACE P12821 4/20 0.53
▸ CPA1 P15085 4/20 0.53
▸ ACE2 Q9BYF1 4/20 0.53
▸ ERAP2 Q6P179 2/20 0.51
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ PPARG P37231 4/20 0.49
▸ GPR34 Q9UPC5 2/20 0.48
▸ LAP3 P28838 1/20 0.47
▸ REN P00797 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46

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 SCHEMBL12475338 0.88 MME (0.66) LTA4HMMEACECPA1ACE2
SCHEMBL30538862 0.86 LTA4H (0.61) LTA4HMMEACECPA1ACE2
Trifluoroacetic Acid SCHEMBL30168522 0.82 MME (0.53) MME
Trifluoroacetic Acid SCHEMBL30168523 0.82 MME (0.53) MME
SCHEMBL30538840 0.79 IL1RN (0.60) LTA4HMMEACECPA1ACE2
SCHEMBL25000465 0.78 POLB (0.58) MMEACE
SCHEMBL19316083 0.78 MMP1 (0.55) MMEERAP2IL1RNERAP1
SCHEMBL25901510 0.77 MME (0.62) LTA4HMMEACECPA1ACE2
SCHEMBL28771144 0.77 TACR1 (0.57) —
SCHEMBL28569722 0.77 CTSC (0.48) ACE

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
US-9518088-B2 Peptide-phospholipid conjugates INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-13 — — US disclosed
US-20130345117-A1 PEPTIDE-PHOSPHOLIPID CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-12-26 — — US disclosed
WO-2012108990-A2 PEPTIDE-PHOSPHOLIPID CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-08-16 — — WO 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-20130345117-A1 PEPTIDE-PHOSPHOLIPID CONJUGATES LPAR3, SSTR3, NPY2R LTA4H 1146/4885MME 1999/4885ACE 3001/4885

“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.

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