Sugi Predict

Sugi Predict / Compounds / SCHEMBL8140482

SCHEMBL8140482

SCHEMBL8140482

CCCCOC[C@H](O)CNCCOS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ CASR P41180 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LPAR5 Q9H1C0 1/20 0.38
▸ ADRB2 P07550 3/20 0.36
▸ ADRB1 P08588 3/20 0.36
▸ ADRB3 P13945 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PLA2G2C Q5R387 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
SCHEMBL21981997 1.00 KDM4E (0.41) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL23988566 0.86 KDM4E (0.34) KDM4ECYP1A2ADRB2ADRB1ADRB3
SCHEMBL21982182 0.84 KDM4E (0.42) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL23988565 0.83 ADRB2 (0.35) KDM4EADRB2
SCHEMBL12886458 0.82 USP2 (0.56) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL21982156 0.81 KDM4E (0.44) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL12631932 0.80 KDM4E (0.33) KDM4EALDH1A1ATM
SCHEMBL20123849 0.79 USP2 (0.49) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL11232438 0.79 HTT (0.54) KDM4ECASRUSP2HTTCYP1A2
SCHEMBL29313966 0.77 LPAR5 (0.50) KDM4ECASRUSP2HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 — — US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
US-20100184805-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-22 — — US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 — — US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 — — WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — 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 (11 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 KDM4E 2286/4885CASR 3645/4885USP2 534/4885
US-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 2540/4885CASR 1339/4885USP2 2430/4885
US-20100184805-A1 RENIN INHIBITORS ACE, REN, ACE2 KDM4E 3501/4885CASR 1963/4885USP2 1283/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE KDM4E 3345/4885CASR 4346/4885USP2 692/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 KDM4E 4346/4885CASR 1637/4885USP2 1829/4885
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 KDM4E 1755/4885CASR 4061/4885USP2 687/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE KDM4E 3345/4885CASR 4346/4885USP2 692/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 KDM4E 3763/4885CASR 1594/4885USP2 2291/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP KDM4E 3255/4885CASR 1448/4885USP2 3946/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 KDM4E 4303/4885CASR 2247/4885USP2 1974/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP KDM4E 4444/4885CASR 1349/4885USP2 865/4885

“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.