Sugi Predict

Sugi Predict / Compounds / SCHEMBL792043

SCHEMBL792043

SCHEMBL792043

COC[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ATM Q13315 2/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3512019 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL3512016 1.00 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL5307883 0.95 PDE8B (0.46) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL12485875 0.95 PDE8B (0.46) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL5257475 0.95 PDE8B (0.46) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL4177435 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATM
SCHEMBL4177439 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATM
SCHEMBL70260 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATM
SCHEMBL21122413 0.88 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1ALOX5APFEN1
SCHEMBL24251932 0.87 DPP4 (0.39) HSD17B10ALDH1A1ALOX5APFEN1ATM

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
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 — — EP disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 — — WO disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 — — US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 — — EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 — — EP disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 — — EP disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 — — WO disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — 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 (4 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 HSD17B10 1240/4885SMN1; SMN2 3927/4885ALDH1A1 376/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HSD17B10 1073/4885SMN1; SMN2 4306/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HSD17B10 1073/4885SMN1; SMN2 4306/4885ALDH1A1 750/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS HSD17B10 3187/4885SMN1; SMN2 3563/4885ALDH1A1 3509/4885

“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.