Sugi Predict

Sugi Predict / Compounds / SCHEMBL4982191

SCHEMBL4982191

SCHEMBL4982191

COC(=O)c1cnc(OC)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.47
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL30570813 0.85 NNMT (0.54) NNMTKDM4EGAAALDH1A1KMT2A
SCHEMBL26118926 0.85 NNMT (0.54) NNMTKDM4EGAAALDH1A1KMT2A
SCHEMBL18339703 0.84 KDM4E (0.46) NNMTKDM4EGAAALDH1A1POLB
SCHEMBL4981534 0.84 NNMT (0.53) NNMTKDM4EALDH1A1POLBKMT2A
SCHEMBL25231350 0.82 KDM4E (0.47) NNMTKDM4EGAAALDH1A1POLB
SCHEMBL25241363 0.82 KDM4E (0.47) KDM4EGAAALDH1A1POLBTSHR
SCHEMBL31149461 0.82 KDM4E (0.47) NNMTKDM4EGAAALDH1A1POLB
SCHEMBL31208502 0.82 KDM4E (0.47) KDM4EGAAALDH1A1POLBTSHR
SCHEMBL21040324 0.82 NNMT (0.70) NNMTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3303055 0.81 KDM4E (0.54) KDM4EGAAALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458956-B The heterocycle sulfone that heteroaryl replaces 格吕伦塔尔有限公司 2019-06-14 — — CN disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 — — EP disclosed
EP-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 — — EP disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 — — US disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 — — US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 — — US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 — — US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — US disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 — — US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 — — US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 — — 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 (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-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C NNMT 2790/4885KDM4E 2772/4885GAA 2122/4885
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NNMT 2168/4885KDM4E 875/4885GAA 252/4885
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B NNMT 2330/4885KDM4E 1637/4885GAA 4739/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NNMT 2168/4885KDM4E 875/4885GAA 252/4885
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 NNMT 147/4885KDM4E 2120/4885GAA 2672/4885

“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.