Sugi Predict

Sugi Predict / Compounds / SCHEMBL289302

SCHEMBL289302

SCHEMBL289302

O=C(O)C1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ FABP7 O15540 1/20 0.47
▸ FABP5 Q01469 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ NOTUM Q6P988 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ PRCP P42785 1/20 0.42
▸ GRM7 Q14831 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.41

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
SCHEMBL29443025 1.00 AKR1C3 (0.50) AKR1C3AKR1C1GAAMAPTFABP7
SCHEMBL7352959 0.98 AKR1C3 (0.48) AKR1C3AKR1C1GAAMAPTFABP7
Hydrochloric Acid SCHEMBL1371854 0.98 AKR1C3 (0.48) AKR1C3AKR1C1GAAMAPTFABP7
SCHEMBL7352952 0.98 AKR1C3 (0.48) AKR1C3AKR1C1GAAMAPTFABP7
SCHEMBL2246351 0.89 SMN1; SMN2 (0.55) AKR1C3AKR1C1GAAMAPTFABP7
SCHEMBL6427539 0.85 FAAH (0.53) AKR1C3AKR1C1FAAHP2RX7
SCHEMBL5608206 0.85 FAAH (0.53) AKR1C3AKR1C1FAAHP2RX7
SCHEMBL367535 0.85 FAAH (0.53) AKR1C3AKR1C1FAAHP2RX7
Hydrochloric Acid SCHEMBL9266537 0.83 ANPEP (0.53) AKR1C3AKR1C1FAAHP2RX7
SCHEMBL6990095 0.82 MCL1 (0.47) AKR1C3AKR1C1GAAMAPTFABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 — — US claimed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 — — EP claimed
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 — — CN claimed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 — — WO claimed
CN-101331122-B Salts of modulators of PPAR and methods of treating metabolic disorders KALYPSYS INC 2011-09-07 — — CN claimed
CN-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 — — CN claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 — — EP claimed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 — — US claimed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 — — CN claimed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 — — US claimed
CN-101146530-A 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG (CH) 2008-03-19 — — CN claimed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 — — EP claimed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 — — WO claimed
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 — — US claimed
CN-1129428-C Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-12-03 — — CN claimed
CN-1124923-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1996-06-19 — — CN claimed
EP-0612244-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1995-05-17 — — EP claimed
EP-0612244-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-08-31 — — EP claimed
US-12630542-B2 Compounds and their use as therapeutically active substances in the treatment and/or prevention of diseases involving the retinal pigment epithelium ENDOGENA THERAPEUTICS, INC. (US) 2026-05-19 — — US disclosed
US-4152527-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1979-05-01 — — 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 AKR1C3 1181/4885AKR1C1 1344/4885GAA 3602/4885
US-12630542-B2 Compounds and their use as therapeutically active substances in the treatment and/or prevention of diseases involving the retinal pigment epithelium ALDH1A2, NR2E3, GFRA1 AKR1C3 784/4885AKR1C1 1631/4885GAA 2193/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC AKR1C3 370/4885AKR1C1 728/4885GAA 118/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 AKR1C3 319/4885AKR1C1 384/4885GAA 346/4885

“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.