SCHEMBL3814970

SCHEMBL3814970

O=S(=O)(c1ccc2ccccc2c1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 1.00
TSHR P16473 3/20 1.00
MEN1 O00255 3/20 0.88
KMT2A Q03164 3/20 0.88
PKM P14618 6/20 0.73
LMNA P02545 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
HTT P42858 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.68
PKLR P30613 1/20 0.64
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.61
THRB P10828 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL30821997 1.00 MCOLN3 (1.00) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL3169939 0.98 MCOLN3 (0.97) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL18134604 0.91 MCOLN3 (0.83) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL8365545 0.85 MCOLN3 (0.73) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL6793698 0.85 PKM (0.89) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL15014129 0.83 PKM (0.89) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL29483657 0.83 PKM (0.89) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL20021982 0.83 PKM (0.89) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL1048996 0.83 MCOLN3 (0.71) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL12655865 0.83 MCOLN3 (0.71) MCOLN3TSHRMEN1KMT2APKM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
EP-1089988-B1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMA INC (US) 2009-08-12 EP disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US disclosed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
EP-1089988-A4 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARM PROD INC (US) 2005-01-19 EP disclosed
CN-1185259-C Fluorophenyl resin compounds AVENTIES PHARMACEUTICALS INC (US) 2005-01-19 CN disclosed
CN-1306524-A Fluorophenyl resin compounds AVENTIES PHARMACEUTICALS INC (US) 2001-08-01 CN disclosed
EP-1089988-A1 FLUOROPHENYL RESIN COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 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 (3 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 MCOLN3 4614/4885TSHR 1808/4885MEN1 4593/4885
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 MCOLN3 3990/4885TSHR 3222/4885MEN1 2546/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 MCOLN3 3882/4885TSHR 2552/4885MEN1 1464/4885

“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.