Sugi Predict

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SCHEMBL6508150

SCHEMBL6508150

Cc1cc(COc2ccccc2[C@]2(N)CCN([C@H](CC(C)C)C(=O)NO)C2=O)c2ccccc2n1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 15/20 0.78
▸ MMP2 P08253 7/20 0.78
▸ MMP9 P14780 7/20 0.78
▸ MMP3 P08254 6/20 0.78
▸ MMP1 P03956 6/20 0.78
▸ MMP7 P09237 4/20 0.78
▸ MMP8 P22894 4/20 0.78
▸ MMP13 P45452 4/20 0.78
▸ MMP14 P50281 4/20 0.78
▸ ADAM10 O14672 4/20 0.78
▸ ADAM33 Q9BZ11 2/20 0.56
▸ MMP15 P51511 1/20 0.56
▸ MMP16 P51512 1/20 0.56

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
SCHEMBL29732231 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6350418 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL1021287 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6350415 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL22256405 0.81 ADAM17 (0.78) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL4206189 0.81 ADAM17 (0.52) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6681213 0.81 ADAM17 (0.86) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6629932 0.80 ADAM17 (0.80) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6681285 0.80 ADAM17 (0.80) ADAM17MMP2MMP9MMP3MMP1
SCHEMBL6685255 0.79 ADAM17 (0.84) ADAM17MMP2MMP9MMP3MMP1

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-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 — — US claimed
WO-2004002956-A3 ASYMMETRIC SYNTHESIS OF AMINO-PYRROLIDINONES AND A CRYSTALLINE, FREE-BASE AMINO-PYRROLIDINONE BRISTOL MYERS SQUIBB CO (US) 2005-03-24 — — WO disclosed
US-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 — — US disclosed
US-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 — — US disclosed
WO-2004002956-A2 ASYMMETRIC SYNTHESIS OF AMINO-PYRROLIDINONES AND A CRYSTALLINE, FREE-BASE AMINO-PYRROLIDINONE BRISTOL MYERS SQUIBB COMPANY (US) 2004-01-08 — — WO disclosed
US-20030232079-A1 DPC 333 formulation having unique biopharmaceutical characteristics BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 — — US disclosed
WO-2003082287-A1 DPC 333 FORMULATION HAVING UNIQUE BIOPHARMACEUTICAL CHARACTERISTICS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 — — 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 (2 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-20030232079-A1 DPC 333 formulation having unique biopharmaceutical characteristics ADAM33, PTMA, TNF ADAM17 9/4885MMP2 90/4885MMP9 182/4885
US-20040006137-A1 Asymmetric synthesis of amino-pyrrolidinones and a crystalline, free-base amino-pyrrolidinone MMP8, MMP9, ADAM8 ADAM17 5/4885MMP2 7/4885MMP9 2/4885

“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.