Sugi Predict

Sugi Predict / Compounds / SCHEMBL7609078

SCHEMBL7609078

SCHEMBL7609078

O=C(C[C@@H](C(=O)OCc1ccccc1)N1C=CN(c2ccc(-c3ccccc3)cc2)C1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC15A1 P46059 2/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMEL1 Q495T6 1/20 0.35
▸ MGLL Q99685 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CDC25B P30305 1/20 0.34

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
SCHEMBL7592290 1.00 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL7453694 0.93 SLC15A1 (0.39) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL7453701 0.93 SLC15A1 (0.39) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL7460871 0.82 KLK7 (0.36) ALDH1A1SLC15A1MEN1KMT2AMAPT
SCHEMBL7607062 0.82 KLK7 (0.36) ALDH1A1SLC15A1MEN1KMT2AMAPT
SCHEMBL7610993 0.81 MMP3 (0.42) MMP9
SCHEMBL7607067 0.74 NAAA (0.32) —
SCHEMBL8532864 0.70 CYP1A2 (0.40) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL7306613 0.68 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL7306627 0.68 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1SLC15A1MEN1

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 5 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

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 ALDH1A1 733/4885MAPK1 2565/4885L3MBTL1 4598/4885

“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.