Sugi Predict

Sugi Predict / Compounds / SCHEMBL7449992

SCHEMBL7449992

SCHEMBL7449992

O=C(C[C@H](C(=O)O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.41
▸ CYP26A1 O43174 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ SLC15A1 P46059 2/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKACA P17612 1/20 0.38

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
Hydrochloric Acid SCHEMBL7455276 0.99 ALDH1A1 (0.44) ALDH1A1NPSR1HPGDPOLBCYP26A1
Hydrochloric Acid SCHEMBL7595280 0.99 ALDH1A1 (0.44) ALDH1A1NPSR1HPGDPOLBCYP26A1
SCHEMBL7457294 0.89 POLB (0.42) ALDH1A1NPSR1HPGDPOLBCYP26A1
SCHEMBL7607153 0.89 POLB (0.42) ALDH1A1NPSR1HPGDPOLBCYP26A1
SCHEMBL7609006 0.81 MMP3 (0.42) ALDH1A1NPSR1HPGDAAK1
SCHEMBL7446378 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1HPGDPOLBCDK8
SCHEMBL7609014 0.81 MMP3 (0.42) ALDH1A1NPSR1HPGDAAK1
SCHEMBL7608366 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1HPGDPOLBCDK8
SCHEMBL7452647 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDPOLBCYP26A1
SCHEMBL7607176 0.80 MMP3 (0.42) ALDH1A1NPSR1HPGD

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 ALDH1A1 733/4885NPSR1 978/4885HPGD 245/4885

“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.