Sugi Predict

Sugi Predict / Compounds / SCHEMBL7413897

SCHEMBL7413897

SCHEMBL7413897

CC(C)(C)C(COC(=O)C(F)(F)F)NC(=O)[C@H](N)CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 2/20 0.43
▸ MMP9 P14780 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CTSL P07711 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABCC3 O15438 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ NR3C1 P04150 1/20 0.36

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 SCHEMBL7413892 0.86 SLC15A1 (0.45) SLC15A1MMP9CTSLCTSSCYP1A2
Trifluoroacetic Acid SCHEMBL7608053 0.86 SLC15A1 (0.45) SLC15A1MMP9CTSLCTSSCYP1A2
SCHEMBL7607306 0.84 SLC15A1 (0.47) SLC15A1MMP9LTA4HCTSLCYP1A2
Trifluoroacetic Acid SCHEMBL7405960 0.79 MMP3 (0.48) SLC15A1MMP9
Trifluoroacetic Acid SCHEMBL7606327 0.79 MMP3 (0.48) SLC15A1MMP9
SCHEMBL7412193 0.77 MMP3 (0.53) SLC15A1MMP9
SCHEMBL7672661 0.77 MMP3 (0.53) SLC15A1MMP9
SCHEMBL2367378 0.77 PSMB1 (0.41) LTA4HMEN1KMT2ACTSLCTSS
Trifluoroacetic Acid SCHEMBL7607313 0.75 SLC15A1 (0.49) SLC15A1ALDH1A1MAPK1CTSLCYP1A2
Trifluoroacetic Acid SCHEMBL7607303 0.75 SLC15A1 (0.49) SLC15A1ALDH1A1MAPK1CTSLCYP1A2

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-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 — — US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 — — US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 — — US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 — — US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 — — US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 — — EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 — — 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 SLC15A1 1953/4885MMP9 1/4885ALDH1A1 733/4885

“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.