Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952903

SCHEMBL9952903

SCHEMBL9952903

COC(=O)Cc1ccc(OC)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NR4A2 P43354 1/20 0.47
▸ PDGFRB P09619 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ AKR1C3 P42330 3/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43

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
SCHEMBL21464329 0.87 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7310883 0.87 ALDH1A1 (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21382985 0.85 CA12 (0.59) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13469244 0.85 KDM4E (0.58) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16379093 0.83 ALDH1A1 (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3230860 0.83 KDM4E (0.61) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23292486 0.82 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4730741 0.82 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL149036 0.82 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9080827 0.81 PDGFRB (0.46) KDM4EALDH1A1HPGDPDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 — — US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 — — US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 — — US disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 — — EP disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 — — EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 — — US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 — — EP disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 — — US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 — — EP disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 — — EP disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 — — WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 — — US disclosed
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 — — 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-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ KDM4E 3281/4885CYP1A2 260/4885CYP2D6 2122/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B KDM4E 2209/4885CYP1A2 179/4885CYP2D6 1154/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B KDM4E 2227/4885CYP1A2 137/4885CYP2D6 997/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A KDM4E 1376/4885CYP1A2 696/4885CYP2D6 2302/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B KDM4E 2156/4885CYP1A2 178/4885CYP2D6 1154/4885

“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.