Sugi Predict

Sugi Predict / Compounds / SCHEMBL7459888

SCHEMBL7459888

SCHEMBL7459888

CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)Cn1cc(I)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.34
▸ DAGLA Q9Y4D2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ ABHD6 Q9BV23 2/20 0.32
▸ SCD O00767 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ TAS2R8 Q9NYW2 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31

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
SCHEMBL7450616 0.87 L3MBTL1 (0.41) DAGLAABHD6
SCHEMBL27496357 0.81 ABCB1 (0.32) ABCB1DAGLAKMT2AALDH1A1TMEM97
SCHEMBL7400455 0.77 ABCB1 (0.41) ABCB1HSD17B10KMT2AALDH1A1GAA
SCHEMBL7400452 0.77 ABCB1 (0.41) ABCB1HSD17B10KMT2AALDH1A1GAA
SCHEMBL7404869 0.68 TSHR (0.36) ABCB1DAGLAHSD17B10ALDH1A1TMEM97
SCHEMBL7454510 0.68 TSHR (0.36) ABCB1DAGLAHSD17B10ALDH1A1TMEM97
SCHEMBL7407270 0.67 ALDH1A1 (0.38) ABCB1HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL7407269 0.67 ALDH1A1 (0.38) ABCB1HSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL6541119 0.67 NAMPT (0.42) ABCB1HSD17B10ALDH1A1
SCHEMBL6541124 0.67 NAMPT (0.42) ABCB1HSD17B10ALDH1A1

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 673/4885DAGLA 3455/4885HSD17B10 853/4885

“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.