Sugi Predict

Sugi Predict / Compounds / SCHEMBL5515633

SCHEMBL5515633

SCHEMBL5515633

CCOC(=O)Cc1csc(C(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 4/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12548974 0.85 MEN1 (0.62) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL16768042 0.84 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL18649492 0.83 MEN1 (0.59) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL16768044 0.82 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL19588739 0.81 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL20662502 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1107420 0.81 MEN1 (0.68) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL18972035 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1669858 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1525238 0.80 MEN1 (0.66) MEN1KMT2ASMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 — — US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 — — US disclosed
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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 — — 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 — — 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-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
EP-0674513-A4 — — 1995-10-25 — — EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 — — EP 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 (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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 MEN1 1746/4885KMT2A 3244/4885SMN1; SMN2 1778/4885
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 MEN1 4298/4885KMT2A 2255/4885SMN1; SMN2 4550/4885
US-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 MEN1 2492/4885KMT2A 2575/4885SMN1; SMN2 1215/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MEN1 3984/4885KMT2A 2206/4885SMN1; SMN2 4482/4885

“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.