SCHEMBL5863828

SCHEMBL5863828

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(/C=C\C(=O)NC(c3ccccc3)c3ccccc3)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.42
NOS2 P35228 1/20 0.41
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
ACHE P22303 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CNR2 P34972 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37

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
SCHEMBL5863833 1.00 GPR55 (0.42) GPR55NOS2TAOK1TAOK3ACHE
SCHEMBL5864468 0.93 TDP1 (0.47) GPR55NOS2ACHEMMP1MMP2
SCHEMBL5864472 0.93 TDP1 (0.47) GPR55NOS2ACHEMMP1MMP2
SCHEMBL5864476 0.93 TDP1 (0.47) GPR55NOS2ACHEMMP1MMP2
SCHEMBL5863735 0.86 AKR1C3 (0.41) GPR55KEAP1NFE2L2PTGESLMNA
SCHEMBL5863737 0.86 AKR1C3 (0.41) GPR55KEAP1NFE2L2PTGESLMNA
SCHEMBL5863722 0.84 MMP1 (0.47) GPR55ACHEMMP1MMP2MMP9
SCHEMBL5863717 0.84 MMP1 (0.47) GPR55ACHEMMP1MMP2MMP9
SCHEMBL5864173 0.83 NR1H4 (0.48) GPR55KEAP1NR1H4
SCHEMBL5864174 0.83 NR1H4 (0.48) GPR55KEAP1NR1H4

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 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 (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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 GPR55 109/4885NOS2 1866/4885TAOK1 3336/4885

“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.