Sugi Predict

Sugi Predict / Compounds / SCHEMBL2601402

SCHEMBL2601402

SCHEMBL2601402

COC(=O)CCc1ccc2c(c1)OCO2

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP3A4 P08684 1/20 0.57
▸ HDAC1 Q13547 3/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ TRPM8 Q7Z2W7 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.53
▸ CALM1 P0DP23 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53

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
SCHEMBL21583731 0.91 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1
SCHEMBL17084609 0.89 HDAC1 (0.70) SMN1; SMN2KMT2AMEN1CYP3A4HDAC1
SCHEMBL5046896 0.89 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL25987654 0.88 POLB (0.60) SMN1; SMN2KMT2AMEN1HDAC1HDAC2
SCHEMBL3186208 0.85 CYP3A4 (0.58) SMN1; SMN2KMT2AMEN1CYP3A4HDAC1
SCHEMBL1744784 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1CYP3A4HSD17B10
SCHEMBL7406 0.83 CYP3A4 (0.62) SMN1; SMN2CYP3A4HDAC1HDAC2HDAC3
SCHEMBL29364835 0.83 CYP3A4 (0.62) SMN1; SMN2CYP3A4HDAC1HDAC2HDAC3
SCHEMBL23545816 0.82 CYP3A4 (0.55) SMN1; SMN2KMT2ACYP3A4HDAC1HDAC2
SCHEMBL7133386 0.82 HDAC1 (0.60) SMN1; SMN2KMT2ACYP3A4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 — — CN disclosed
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2012-04-19 — — US disclosed
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2012-04-19 — — US disclosed
US-8088818-B2 Catechol-based derivatives for treating or preventing diabetics NATIONAL TAIWAN UNIVERSITY (TW) 2012-01-03 — — US disclosed
US-8088818-B2 Catechol-based derivatives for treating or preventing diabetics NATIONAL TAIWAN UNIVERSITY (TW) 2012-01-03 — — US disclosed
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 — — US disclosed
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 — — US disclosed
US-7666659-B2 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2010-02-23 — — US disclosed
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2010-01-21 — — US disclosed
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS LOTUS PHARMACEUTICAL CO., LTD. (TW) 2009-06-04 — — US disclosed
WO-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 — — WO disclosed
EP-0650484-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-01-26 — — EP disclosed
US-5559105-A ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-24 — — US disclosed
EP-0650484-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-03 — — EP disclosed
CN-1088581-A Endothelin-receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-06-29 — — CN disclosed
US-5312828-A Substituted imidazoles having angiotensin II receptor blocking activity SMITHKLINE BEECHAM CORPORATION A CORP. OF PENNSYLVANIA 1994-05-17 — — US disclosed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 — — WO disclosed
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 — — CN disclosed
CN-1048039-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1990-12-26 — — CN disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — 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 (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-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 SMN1; SMN2 3302/4885KMT2A 2897/4885MEN1 3781/4885
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 SMN1; SMN2 3302/4885KMT2A 2897/4885MEN1 3781/4885
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A3 SMN1; SMN2 3165/4885KMT2A 2798/4885MEN1 3460/4885
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE HPD, GRHPR, PAH SMN1; SMN2 4373/4885KMT2A 1686/4885MEN1 2725/4885

“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.