Sugi Predict

Sugi Predict / Compounds / SCHEMBL7447779

SCHEMBL7447779

SCHEMBL7447779

CC1(C)OCC(Cc2ccccc2)N1C(=O)C(=O)c1ccn(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ ABHD6 Q9BV23 3/20 0.32
▸ DAGLA Q9Y4D2 3/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL7447785 1.00 ABCB1 (0.34) ABCB1CA12CA1CA2CA9
SCHEMBL7692379 0.86 FFAR4 (0.36) ABCB1HDAC1DAGLASLC6A2SLC6A4
SCHEMBL7454510 0.83 TSHR (0.36) ABCB1HDAC1ABHD6DAGLAALDH1A1
SCHEMBL7404869 0.83 TSHR (0.36) ABCB1HDAC1ABHD6DAGLAALDH1A1
SCHEMBL7451704 0.81 ABCB1 (0.33) ABCB1HDAC1ABHD6DAGLAALDH1A1
SCHEMBL7451706 0.81 ABCB1 (0.33) ABCB1HDAC1ABHD6DAGLAALDH1A1
SCHEMBL7458431 0.78 HSD17B10 (0.34) ABCB1ABHD6DAGLAHSD17B10
SCHEMBL7449060 0.78 HSD17B10 (0.34) ABCB1ABHD6DAGLAHSD17B10
SCHEMBL7452364 0.78 ALDH1A1 (0.43) HDAC1ALDH1A1
SCHEMBL7408391 0.78 ALDH1A1 (0.43) HDAC1ALDH1A1

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 ABCB1 673/4885CA12 443/4885CA1 188/4885

“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.