Sugi Predict

Sugi Predict / Compounds / SCHEMBL628286

SCHEMBL628286

SCHEMBL628286

CC(C)[C@@H](C(=O)O)N1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA3 P07451 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ CHRM2 P08172 2/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM5 P08912 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ RAB9A P51151 1/20 0.41
▸ PIK3CD O00329 1/20 0.39

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
SCHEMBL3725271 1.00 LMNA (0.49) LMNACA12CA1CA2CA3
SCHEMBL15106072 0.95 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL8331968 0.95 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL8240441 0.85 LMNA (0.49) LMNACA12CA1CA2CA3
SCHEMBL3713795 0.84 LMNA (0.60) LMNACA12CA1CA2CA3
SCHEMBL10298825 0.84 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL22648597 0.83 LMNA (0.55) LMNACA12CA1CA2CA3
SCHEMBL28248744 0.81 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL10959845 0.81 LMNA (0.51) LMNACA12CA1CA2CA3
SCHEMBL951298 0.81 LMNA (0.51) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112367983-A 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction 伊利诺伊大学评议会 2021-02-12 — — CN disclosed
CN-112367983-A 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction 伊利诺伊大学评议会 2021-02-12 — — CN disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 — — EP disclosed
US-8603980-B2 Glutamate receptor antagonists and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2013-12-10 — — US disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 — — EP disclosed
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 — — US disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 — — WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — US disclosed
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-05 — — US disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 — — US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US disclosed
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 — — EP disclosed
US-6472529-B2 VIRICIDES ABBOTT LABORATORIES 2002-10-29 — — US disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 — — EP disclosed
US-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 — — US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 — — EP disclosed
US-6313296-B1 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT ABBOTT LABORATORIES 2001-11-06 — — US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 — — US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 — — 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 (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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885CA12 4401/4885CA1 4852/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 LMNA 3656/4885CA12 3536/4885CA1 2192/4885
US-20100196354-A1 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE GRM5, GRM1, GRM3 LMNA 4703/4885CA12 2546/4885CA1 957/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 LMNA 3656/4885CA12 3536/4885CA1 2192/4885

“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.