SCHEMBL4592906

SCHEMBL4592906

N#CC(S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TRPA1 O75762 1/20 0.52
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL1193246 0.86 CHRNB2 (0.42) TSHRTRPA1ALDH1A1
SCHEMBL8018943 0.75 ALDH1A1 (0.42) ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7952407 0.75 LMNA (0.46) ALDH1A1HTTUSP2LMNAHPGD
SCHEMBL11637235 0.75 TSHR (0.48) TSHRTRPA1DPP4F2ALDH1A1
SCHEMBL28555666 0.74 DPP4 (0.38) TSHRTRPA1DPP4F2
SCHEMBL7370019 0.74 CYP2D6 (0.39) TSHRTRPA1DPP4F2LMNA
SCHEMBL7370022 0.74 CYP2D6 (0.39) TSHRTRPA1DPP4F2LMNA
SCHEMBL819626 0.72 ESR1 (0.56) TSHRTRPA1DPP4F2ALDH1A1
SCHEMBL6309534 0.72 ESR1 (0.56) TSHRTRPA1DPP4F2ALDH1A1
SCHEMBL1325882 0.72 TSHR (0.56) TSHRTRPA1DPP4F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118603958-A Raman analysis method for ALS, APOC3, C3 and FCN2 proteins and biological application 上海市第四人民医院 2024-09-06 CN claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
CN-118603958-A Raman analysis method for ALS, APOC3, C3 and FCN2 proteins and biological application 上海市第四人民医院 2024-09-06 CN disclosed
CN-110240554-B Alpha-thioether aryl acetonitrile compound and synthetic method thereof 上海大学 2021-02-23 CN disclosed
CN-102548769-A Lithographic printing plate precursor FUJIFILM CORP 2012-07-04 CN disclosed
US-7405228-B2 Antibacterial cyano-(substituted)-methylenepiperidinophenyl oxazolidinones targeting multiple ribonucleoprotein sites WOCKHARDT LIMITED (IN) 2008-07-29 US disclosed
EP-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP disclosed
US-20040063954-A1 Antibacterial cyano-(substituted)-methylenepiperidinophenyl oxazolidinones targeting multiple ribonucleoprotein sites WOCKHARDT LIMITED 2004-04-01 US disclosed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 WO disclosed
EP-0151072-B1 DERIVATIVES OF METHYLENEDIPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND ANTIRHEUMATIC PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1988-03-09 EP disclosed
EP-0151072-A2 Derivatives of methylenediphosphonic acid, process for their preparation and antirheumatic pharmaceutical compositions containing them SANOFI (FR) 1985-08-07 EP 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 (1 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-20040063954-A1 Antibacterial cyano-(substituted)-methylenepiperidinophenyl oxazolidinones targeting multiple ribonucleoprotein sites POLRMT, RNASEL, RNASE1 TSHR 4634/4885TRPA1 3933/4885DPP4 421/4885

“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.