SCHEMBL2637124

SCHEMBL2637124

CC(C)(O)Cc1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ S1PR1 P21453 7/20 0.38
▸ DAO P14920 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36

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
SCHEMBL3693386 0.91 ATM (0.39) —
SCHEMBL10294037 0.85 ENPP2 (0.45) PDK1PDK2PDK3PDK4ENPP2
SCHEMBL1560337 0.84 TDP1 (0.45) NOS3NOS1NOS2
SCHEMBL13226959 0.83 TP53 (0.41) —
SCHEMBL2140136 0.82 SLC6A2 (0.57) PDK1PDK2PDK3PDK4ENPP2
SCHEMBL28209321 0.81 CYP4F2 (0.45) NOS1
SCHEMBL14341098 0.79 MAOB (0.50) ENPP2TSHRCYP11B1CYP11B2NOS1
SCHEMBL2259568 0.79 ACHE (0.50) DAO
SCHEMBL905144 0.79 ENPP2 (0.52) ENPP2
SCHEMBL123838 0.79 TSHR (0.61) ENPP2PRSS1PRSS2PRSS3TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104144925-A SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER IP GMBH 2014-11-12 — — CN disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 — — US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 — — US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 — — US disclosed
EP-2768826-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-08-27 — — EP disclosed
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
WO-2013057101-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 — — WO disclosed
WO-2013057101-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 — — WO disclosed
CN-103003266-A Hydroxyalkylbenzylpyrazoles and their use for the treatment of hyperproliferative and angiogenic diseases BAYER IP GMBH 2013-03-27 — — CN disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 — — EP disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 — — WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 — — 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 (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-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS HIF1AN, HIF1A, EGLN3 PDK1 15/4885PDK2 9/4885PDK3 14/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A PDK1 24/4885PDK2 20/4885PDK3 27/4885

“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.

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