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Sugi Predict / Compounds / SCHEMBL1503713

SCHEMBL1503713

SCHEMBL1503713

CS(=O)(=O)c1ncc2c(n1)CN(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.38
▸ HSP90B1 P14625 1/20 0.37
▸ MAPT P10636 8/20 0.35
▸ TP53 P04637 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ TLR9 Q9NR96 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ XBP1 P17861 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MITF O75030 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ AGTR1 P30556 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL785054 0.87 MAPT (0.43) HSP90AA1HSP90B1MAPT
SCHEMBL741206 0.81 MAPT (0.51) MAPT
SCHEMBL16870041 0.80 MAPT (0.33) MAPTTP53NPC1TLR9ALDH1A1
SCHEMBL28410158 0.79 TLR9 (0.36) MAPTTP53NPC1TLR9ALDH1A1
SCHEMBL22165422 0.78 TMEM97 (0.46) NPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL18818957 0.78 TP53 (0.33) MAPTTP53NPC1TLR9ALDH1A1
SCHEMBL15880089 0.77 TP53 (0.32) MAPTTP53NPC1TLR9ALDH1A1
SCHEMBL8207690 0.76 HSP90AA1 (0.43) HSP90AA1HSP90B1L3MBTL1HDAC1HDAC2
SCHEMBL9954967 0.76 MAPT (0.46) HSP90AA1HSP90B1MAPT
SCHEMBL15530492 0.75 HSP90AB1 (0.47) HSP90AA1HSP90B1NAMPTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250135-B Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof 四川科伦博泰生物医药股份有限公司 2020-05-26 — — CN claimed
CN-107250135-B Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof 四川科伦博泰生物医药股份有限公司 2020-05-26 — — CN disclosed
CN-107428762-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 — — CN disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
EP-1888066-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-01-11 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 — — CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HSP90AA1 3654/4885HSP90B1 3036/4885MAPT 4390/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HSP90AA1 3236/4885HSP90B1 3775/4885MAPT 4271/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R HSP90AA1 3236/4885HSP90B1 3775/4885MAPT 4271/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HSP90AA1 3236/4885HSP90B1 3775/4885MAPT 4271/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HSP90AA1 3236/4885HSP90B1 3775/4885MAPT 4271/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 HSP90AA1 3089/4885HSP90B1 2992/4885MAPT 4302/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HSP90AA1 3076/4885HSP90B1 3792/4885MAPT 4230/4885

“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.