SCHEMBL4945126

SCHEMBL4945126

O=S(=O)(O)Cc1cc(-c2csc(Cl)c2)on1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 8/20 0.33
NPC1 O15118 6/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL30223737 0.74 NOTUM (0.45) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL4323511 0.69 NOTUM (0.41) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL23070909 0.66 SLC6A3 (0.40) MAPTGAASMN1; SMN2
SCHEMBL27752797 0.66 MAPT (0.41) MAPTRAB9ANPC1POLBGAA
SCHEMBL19987807 0.64 SMN1; SMN2 (0.40) RAB9ANPC1CYP1A2CYP2D6CYP2C19
SCHEMBL4325035 0.63 NPC1 (0.40) NOTUMTDP1MAPTHPGDRAB9A
SCHEMBL1544618 0.58 NOTUM (0.41) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL5355039 0.58 DAO (0.43) TDP1ALDH1A1SMN1; SMN2
SCHEMBL29241087 0.57 NOTUM (0.40) NOTUMTDP1L3MBTL1MAPTHPGD
SCHEMBL3545066 0.56 KMT2A (0.46) TDP1L3MBTL1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US 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-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 NOTUM 1681/4885TDP1 3525/4885L3MBTL1 4640/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 NOTUM 1681/4885TDP1 3525/4885L3MBTL1 4640/4885

“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.