SCHEMBL826374

SCHEMBL826374

C1CN(OON2CCSCC2)CCS1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL16446620 0.80
SCHEMBL337229 0.76
Hydrochloric Acid SCHEMBL720507 0.74
SCHEMBL4917540 0.73
SCHEMBL15483902 0.71 KDM4E (0.31)
SCHEMBL4917497 0.67
SCHEMBL1318771 0.67
SCHEMBL15483607 0.66
SCHEMBL4918245 0.64 POLB (0.31)
SCHEMBL983745 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027854-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS COILED THERAPEUTICS, INC. 2023-01-26 US claimed
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US claimed
WO-2021097352-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS A2A PHARMACEUTICALS, INC. (US) 2021-05-20 WO claimed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US claimed
EP-3050885-B1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-10-18 EP claimed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US claimed
US-9598420-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2017-03-21 US claimed
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US claimed
EP-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP claimed
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR NOVARTIS AG (CH) 2015-07-30 US claimed
EP-1611112-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS Vernalis (Cambridge) Limited (GB) 2006-01-04 EP claimed
WO-2004072051-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-08-26 WO claimed
US-20040082786-A1 Piperazine based inhibitors of factor xa MILENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
US-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-15 US claimed
EP-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP claimed
EP-1322610-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP claimed
WO-2002026720-A2 PIPERAZINE BASED INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO claimed
WO-2002026718-A2 BICYCLIC PYRIMIDIN-4-ONE BASED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICAL, INC. (US) 2002-04-04 WO claimed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 WO claimed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20230027854-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS PTPRC, NFATC1, PTPRCAP FDPS 3570/4885FAAH 4737/4885PHGDH 2521/4885
US-20040082786-A1 Piperazine based inhibitors of factor xa TFPI, F11, F12 FDPS 1641/4885FAAH 972/4885PHGDH 3743/4885
US-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 FDPS 2068/4885FAAH 849/4885PHGDH 4010/4885
US-20150209362-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A PYRIDO [4,3-D] PYRIMIDINE DERIVED HSP90-INHIBITOR AND A HER2 INHIBITOR HSP90B1, HSP90AB1, HSP90AB2P FDPS 3172/4885FAAH 3556/4885PHGDH 603/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P FDPS 4105/4885FAAH 3927/4885PHGDH 3938/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P FDPS 4126/4885FAAH 3893/4885PHGDH 3972/4885
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS HSP90AB1, HSP90B1, HSP90AA1 FDPS 3107/4885FAAH 4448/4885PHGDH 1718/4885

“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.