Sugi Predict

Sugi Predict / Compounds / SCHEMBL2201517

SCHEMBL2201517

SCHEMBL2201517

COCCOc1ccc(C=O)cc1OC

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.90
▸ MAPT P10636 10/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ LMNA P02545 4/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.71
▸ HTT P42858 2/20 0.71
▸ ALDH1A1 P00352 11/20 0.68
▸ TSHR P16473 1/20 0.68
▸ HPGD P15428 7/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ HSP90AA1 P07900 1/20 0.58

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
SCHEMBL5973815 0.95 FDPS (1.00) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL1515797 0.93 FDPS (0.78) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL482374 0.93 FDPS (0.77) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL9442186 0.90 FDPS (0.90) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL16360861 0.89 FDPS (0.71) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL30802598 0.89 FDPS (0.71) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL13521550 0.89 FDPS (0.87) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL31268362 0.89 FDPS (0.71) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL9442183 0.88 FDPS (0.87) FDPSMAPTSMN1; SMN2LMNANPSR1
SCHEMBL8719147 0.88 FDPS (0.87) FDPSMAPTSMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 — — US claimed
CN-110041331-B Styrylxanthine derivative and use thereof 广东东阳光药业有限公司 2020-08-07 — — CN disclosed
US-8916572-B2 Bis-quinazoline derivatives as inhibitors for epidermal growth factor receptor (EGFR) tyrosine kinase Tetranov International Inc. (US) 2014-12-23 — — US disclosed
US-8916572-B2 Bis-quinazoline derivatives as inhibitors for epidermal growth factor receptor (EGFR) tyrosine kinase Tetranov International Inc. (US) 2014-12-23 — — US disclosed
US-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Tetranov International, Inc (US) 2013-11-07 — — US disclosed
US-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase Tetranov International, Inc (US) 2013-11-07 — — US disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 — — US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 — — US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 — — US disclosed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 — — EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 — — WO disclosed
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 — — WO disclosed
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 — — WO disclosed
EP-0294647-B1 THIADIAZINONES MERCK PATENT GmbH (DE) 1993-07-21 — — EP disclosed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 — — US disclosed
US-4883798-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY, ANTIANGINAL AND ANTIOXIDANT AGENT EGIS GYOGYSZERGYAR (HU) 1989-11-28 — — US disclosed
EP-0301428-A2 Benzyldiaminopyrimidine derivatives and their use as medicaments EGIS GYOGYSZERGYAR (HU) 1989-02-01 — — EP disclosed
EP-0294647-A2 Thiadiazinones MERCK PATENT GmbH (DE) 1988-12-14 — — 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 (3 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-20130296348-A1 Bis-Quinazoline Derivatives as Inhibitors for Epidermal Growth Factor Receptor (EGFR) Tyrosine Kinase ERBB2, EGFR, ERBB4 FDPS 2487/4885MAPT 2083/4885SMN1; SMN2 4791/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA FDPS 405/4885MAPT 2081/4885SMN1; SMN2 1933/4885
US-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 FDPS 2302/4885MAPT 3893/4885SMN1; SMN2 4114/4885

“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.