Sugi Predict

Sugi Predict / Compounds / SCHEMBL330025

SCHEMBL330025

SCHEMBL330025

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.52
▸ F2 P00734 1/20 0.52
▸ F5 P12259 1/20 0.52
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ DEGS1 O15121 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL6363570 1.00 F10 (0.52) F10F2F5NPC1RAB9A
SCHEMBL6363422 0.92 F10 (0.45) F10F2F5NPC1RAB9A
SCHEMBL1720813 0.85 F10 (0.40) F10F2F5NPC1RAB9A
SCHEMBL10046619 0.85 F10 (0.66) F10F2F5NPC1RAB9A
SCHEMBL1503981 0.83 F10 (0.62) F10F2F5NPC1RAB9A
SCHEMBL1504039 0.83 F10 (0.62) F10F2F5NPC1RAB9A
SCHEMBL10028978 0.83 F10 (0.57) F10F2F5NPC1RAB9A
SCHEMBL1253410 0.82 F10 (0.57) F10F2F5NPC1RAB9A
SCHEMBL31474872 0.82 F10 (0.57) F10F2F5NPC1RAB9A
SCHEMBL29538439 0.82 F10 (0.57) F10F2F5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 — — US claimed
US-20150239909-A1 PROCESS FOR THE PREPARATION OF (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-27 — — US claimed
CN-114349770-B Preparation method of blood coagulation FXa inhibitor 江苏威凯尔医药科技有限公司 2023-02-03 — — CN disclosed
CN-114349770-A Preparation method of blood coagulation FXa inhibitor 江苏威凯尔医药科技有限公司 2022-04-15 — — CN disclosed
CN-113968813-A Preparation method of edoxaban key intermediate 江苏威凯尔医药科技有限公司 2022-01-25 — — CN disclosed
EP-3109251-B1 METHOD FOR PRODUCING INHIBITOR OF ACTIVATED BLOOD COAGULATION FACTOR X (FXA) DAIICHI SANKYO CO LTD (JP) 2020-07-15 — — EP disclosed
US-9920071-B2 Method for producing inhibitor of activated blood coagulation factor X (FXa) DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-20 — — US disclosed
US-20170050983-A1 METHOD FOR PRODUCING INHIBITOR OF ACTIVATED BLOOD COAGULATION FACTOR X (FXA) DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-23 — — US disclosed
EP-3109251-A1 METHOD FOR PRODUCING INHIBITOR OF ACTIVATED BLOOD COAGULATION FACTOR X (FXA) DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 — — EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 — — US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 — — US disclosed
US-20150239909-A1 PROCESS FOR THE PREPARATION OF (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-27 — — US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 — — US disclosed
EP-2407450-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-18 — — EP disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US 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-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F7, MAOA, F13A1 F10 26/4885F2 16/4885F5 75/4885
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TFPI, F2, SERPINC1 F10 15/4885F2 2/4885F5 7/4885
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE TFPI, TFPI2, DAO F10 40/4885F2 5/4885F5 28/4885
US-20150239909-A1 PROCESS FOR THE PREPARATION OF (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F10, F8, TFPI F10 1/4885F2 6/4885F5 9/4885
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 F10 12/4885F2 5/4885F5 10/4885
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE F12, DAO, TFPI F10 13/4885F2 9/4885F5 7/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R F10 196/4885F2 4/4885F5 48/4885
US-20170050983-A1 METHOD FOR PRODUCING INHIBITOR OF ACTIVATED BLOOD COAGULATION FACTOR X (FXA) F12, F11, F2 F10 4/4885F2 3/4885F5 8/4885

“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.