Sugi Predict

Sugi Predict / Compounds / SCHEMBL1325536

SCHEMBL1325536

SCHEMBL1325536

CC(C)(C)OC(=O)C1NC(C(=O)O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ FABP7 O15540 1/20 0.35
▸ FABP3 P05413 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL29599645 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2218168 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2216604 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL3570843 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL8120909 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL21243773 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL21243769 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL1202734 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL28787105 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E
SCHEMBL27398624 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 — — US disclosed
US-8058240-B2 Biological active ligands of melanocortin receptors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-11-15 — — US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 — — US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 — — US disclosed
US-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents TRANSTECH PHARMA, INC. 2010-11-11 — — US disclosed
US-7776919-B2 Carboxamide derivatives as therapeutic agents TransTech Pharm, Inc. (US) 2010-08-17 — — US disclosed
US-20090176712-A1 Peptides with Efficacy in Rescuing Melanocortin-4 Receptor Polymorphic Agonist Signaling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-09 — — US disclosed
EP-2027143-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2009-02-25 — — EP disclosed
US-7423177-B2 Carboxamide derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-09-09 — — US disclosed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 — — US disclosed
EP-1001974-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 — — EP disclosed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 — — EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 — — WO disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 — — WO disclosed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 — — WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 — — US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 — — EP 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-20100286197-A1 Carboxamide Derivatives As Therapeutic Agents AGER, S100B, S100A4 MAPT 655/4885GAA 870/4885TSHR 4283/4885
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MAPT 1916/4885GAA 2612/4885TSHR 4644/4885

“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.