Sugi Predict

Sugi Predict / Compounds / SCHEMBL362044

SCHEMBL362044

SCHEMBL362044

CC1(C)OB(c2ccc(C3(NC(=O)O)CCC3)cc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 8/20 0.43
▸ LPL P06858 7/20 0.43
▸ P4HB P07237 1/20 0.41
▸ CA1 P00915 7/20 0.40
▸ CA2 P00918 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ F11 P03951 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ DGAT1 O75907 1/20 0.37

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
SCHEMBL2034656 0.94 LIPG (0.45) LIPGLPLP4HBCA1CA2
SCHEMBL2034800 0.86 LIPG (0.43) LIPGLPLP4HBCA1CA2
SCHEMBL2034799 0.86 LIPG (0.43) LIPGLPLP4HBCA1CA2
SCHEMBL2700792 0.86 LIPG (0.43) LIPGLPLP4HBCA1CA2
SCHEMBL17872784 0.86 LIPG (0.43) LIPGLPLP4HBCA1CA2
SCHEMBL15900053 0.85 F11 (0.42) LIPGLPLP4HBCA1CA2
SCHEMBL2033871 0.84 LIPG (0.41) LIPGLPLP4HBCA1CA2
SCHEMBL2033870 0.84 LIPG (0.41) LIPGLPLP4HBCA1CA2
SCHEMBL9958898 0.83 F11 (0.41) LIPGLPLP4HBCA1CA2
SCHEMBL9958895 0.83 F11 (0.41) LIPGLPLP4HBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 — — US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 — — US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 — — US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 — — US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 — — EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 — — WO disclosed
US-9370517-B2 Substituted pyrazolopyrimidines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-21 — — US disclosed
EP-2802588-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS AKT KINASE INHIBITORS BAYER IP GMBH (DE) 2016-05-25 — — EP disclosed
US-20150306102-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-29 — — US disclosed
EP-2593451-B1 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER IP GMBH (DE) 2015-08-19 — — EP disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 — — EP disclosed
WO-2012080237-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 — — WO disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 — — WO disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 — — US disclosed
WO-2012013713-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — WO disclosed
WO-2012007345-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 — — WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 — — WO disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 — — WO disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 — — 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 (6 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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 LIPG 1647/4885LPL 1838/4885P4HB 2638/4885
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 LIPG 4586/4885LPL 4587/4885P4HB 3278/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 LIPG 1561/4885LPL 1876/4885P4HB 2620/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 LIPG 1561/4885LPL 1876/4885P4HB 2620/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 LIPG 1647/4885LPL 1838/4885P4HB 2638/4885
US-20150306102-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS AKT KINASE INHIBITORS PIK3CA, PI4KB, PIK3CD LIPG 966/4885LPL 1665/4885P4HB 1047/4885

“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.