Sugi Predict

Sugi Predict / Compounds / SCHEMBL5520909

SCHEMBL5520909

SCHEMBL5520909

CC(C)c1nc(/C=C/C(=O)O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC2 Q92769 7/20 0.41
▸ HDAC3 O15379 6/20 0.41
▸ HDAC8 Q9BY41 6/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.41
▸ HDAC4 P56524 5/20 0.41
▸ HDAC7 Q8WUI4 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC11 Q96DB2 4/20 0.41
▸ HDAC9 Q9UKV0 4/20 0.41
▸ HDAC5 Q9UQL6 4/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ LMNA P02545 2/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL7186157 1.00 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6298523 0.85 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6298520 0.85 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8852995 0.79 TTR (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8852985 0.79 TTR (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1124089 0.77 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1124090 0.77 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2575867 0.75 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2575865 0.75 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2438716 0.74 MAPT (0.41) TLR7PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 — — US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 — — US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 — — EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 — — US disclosed
US-20010008892-A1 Retroviral protease inhibiting compounds CHEN XIAOQI (US) 2001-07-19 — — US disclosed
US-6251906-B1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES 2001-06-26 — — US disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 — — EP disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 — — US disclosed
US-5583233-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 — — US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 — — US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 — — US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 — — EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 — — US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 — — EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 — — US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 — — 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 (2 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 HDAC1 419/4885HDAC2 2177/4885HDAC3 2274/4885
US-20010008892-A1 Retroviral protease inhibiting compounds PREP, DNPEP, SERPINB1 HDAC1 750/4885HDAC2 2402/4885HDAC3 1998/4885

“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.