SCHEMBL5969202

SCHEMBL5969202

CC(C)(C)OC(=O)n1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.51
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ MDM2 Q00987 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC17A5 Q9NRA2 1/20 0.43
▸ CCKAR P32238 2/20 0.43
▸ CCKBR P32239 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL30917941 1.00 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL29353403 1.00 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL1000833 1.00 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL29364320 1.00 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL1709188 1.00 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL12052757 0.93 L3MBTL1 (0.48) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL8104292 0.93 L3MBTL1 (0.48) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL30231797 0.93 ADAM17 (0.51) ADAM17MDM4TP53MDM2L3MBTL1
SCHEMBL119657 0.92 MDM4 (0.53) MDM4TP53MDM2SLC17A5
SCHEMBL120776 0.92 MDM4 (0.53) MDM4TP53MDM2SLC17A5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO claimed
US-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-09 — — US disclosed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 — — US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-7001887-B2 Blood coagulation factor VIIa inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-02-21 — — US disclosed
US-20040087511-A1 Peptide derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 — — US disclosed
EP-1364960-A1 PEPTIDE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-26 — — EP disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 — — 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 (4 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-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof PCSK9, HMGCR, PCSK7 ADAM17 738/4885MDM4 2375/4885TP53 4587/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR ADAM17 328/4885MDM4 4381/4885TP53 3992/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR ADAM17 328/4885MDM4 4381/4885TP53 3992/4885
US-20040087511-A1 Peptide derivatives F7, F13B, HABP2 ADAM17 73/4885MDM4 4172/4885TP53 4428/4885

“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.

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