Sugi Predict

Sugi Predict / Compounds / SCHEMBL4523127

SCHEMBL4523127

SCHEMBL4523127

CC(C)(C)OC(=O)N1CCCc2ccc(CC(=O)O)nc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.40
▸ ESR2 Q92731 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ CYP11B2 P19099 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ ITGAV P06756 2/20 0.34
▸ ITGB6 P18564 2/20 0.34
▸ FGFR4 P22455 6/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL30474562 1.00 MPO (0.40) MPOESR2NPC1RAB9ABRD4
SCHEMBL3138861 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL29702271 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL13355467 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL29390935 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL30918981 0.88 MPO (0.41) MPOESR2NPC1RAB9ABRD4
SCHEMBL17642774 0.88 MPO (0.41) MPOESR2NPC1RAB9ABRD4
SCHEMBL30918952 0.87 MPO (0.41) MPOESR2NPC1RAB9ABRD4
SCHEMBL16607425 0.87 ITGAV (0.40) MPOESR2NPC1RAB9ABRD4
SCHEMBL861136 0.87 L3MBTL1 (0.40) MPOESR2NPC1RAB9ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 — — US disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 — — CN disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 — — CN disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 — — US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 — — US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 — — US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 — — US disclosed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 — — EP disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 — — WO disclosed
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 — — US disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 — — US disclosed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 — — US disclosed
EP-1146874-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2002-06-05 — — EP disclosed
WO-2002018377-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 — — WO disclosed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 — — WO disclosed
EP-1146874-A1 VITRONECTIN RECEPTOR ANTAGONIST SmithKline Beecham Corporation (US) 2001-10-24 — — EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 — — EP disclosed
WO-2000033838-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 — — WO disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 — — 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 (5 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV MPO 3428/4885ESR2 1710/4885NPC1 2035/4885
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy ITGB1, ITGB5, ITGB3 MPO 2744/4885ESR2 859/4885NPC1 1520/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 MPO 2778/4885ESR2 115/4885NPC1 4203/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 MPO 4643/4885ESR2 2360/4885NPC1 1434/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR MPO 3584/4885ESR2 203/4885NPC1 1297/4885

“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.