SCHEMBL4136918

SCHEMBL4136918

CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
ACACB O00763 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CCR5 P51681 2/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39

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
SCHEMBL4146165 0.86 KDM4E (0.44) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL21150760 0.84 TACR1 (0.43) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL10199816 0.84 KDM4E (0.41) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL3492232 0.83 TACR1 (0.43) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL8813580 0.82 TSHR (0.42) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL7012505 0.82 TACR1 (0.43) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL21151880 0.81 KDM4E (0.41) KDM4EMAPTTHRBUSP2SMN1; SMN2
SCHEMBL21753397 0.81 NPC1 (0.43) KDM4EMAPTTHRBSMN1; SMN2GPR119
SCHEMBL23288812 0.79 CTSD (0.45) KDM4EMAPTTHRBGPR119DDB1
SCHEMBL2916974 0.79 TSHR (0.40) KDM4EMAPTTHRBUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621243-B Sulfonamide derivative and application thereof 上海拓界生物医药科技有限公司 2024-03-01 CN disclosed
CN-114621243-A Sulfonamide derivative and application thereof 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed
EP-3448522-B1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD (GB) 2021-01-20 EP disclosed
US-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IOMET PHARMA LTD. (GB) 2020-07-23 US disclosed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 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 (8 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ KDM4E 2382/4885MAPT 2976/4885THRB 3700/4885
US-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 KDM4E 2888/4885MAPT 3944/4885THRB 2202/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 KDM4E 3789/4885MAPT 3092/4885THRB 2587/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH KDM4E 533/4885MAPT 4719/4885THRB 2425/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 KDM4E 3789/4885MAPT 3092/4885THRB 2587/4885
US-20200230117-A1 NOVEL SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN-2,3-DIOXYGENASE IDO1, IDO2, TDO2 KDM4E 1087/4885MAPT 2048/4885THRB 1179/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 KDM4E 3762/4885MAPT 3064/4885THRB 2634/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 KDM4E 3762/4885MAPT 3064/4885THRB 2634/4885

“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.