SCHEMBL20600247

SCHEMBL20600247

O=S(=O)(CC1CCCOC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
NR1H2 P55055 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GRM5 P41594 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8125415 0.80 CHRM5 (0.41) TSHRHPGDCA1CA2POLB
SCHEMBL13013205 0.78 GRM5 (0.39) TSHRHPGDCA1CA2POLB
SCHEMBL14836906 0.78 CA1 (0.42) TSHRHPGDCA1CA2POLB
SCHEMBL15225979 0.77 TSHR (0.46) TSHRPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24477714 0.75 KDM4E (0.41) TSHRPOLBALDH1A1KMT2AJAK2
SCHEMBL26695944 0.73 INPP5A (0.41) KMO
SCHEMBL17803578 0.73 PDE8B (0.33) KMO
Bicarbonate SCHEMBL15225846 0.72 TSHR (0.45) TSHRPOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL626217 0.72 JAK2 (0.42) TSHRHPGDCA1CA2POLB
SCHEMBL416473 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 US disclosed
EP-3645521-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS Recordati Industria Chimica E Farmaceutica SPA (IT) 2020-05-06 EP disclosed
WO-2019002571-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2019-01-03 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 (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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 KMO 820/4885TSHR 569/4885HPGD 956/4885

“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.