SCHEMBL4890916

SCHEMBL4890916

CC(C)S(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.57
CYP1A2 P05177 3/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
CYP2C9 P11712 1/20 0.50
TBXAS1 P24557 1/20 0.50
PKM P14618 10/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MMP12 P39900 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL20368501 0.89 PKM (0.56) CYP1A2PKMALDH1A1CYP3A4CYP2C19
SCHEMBL4899973 0.85 KIF11 (0.61) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL4608466 0.81 PKM (0.57) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL4899671 0.80 KIF11 (0.62) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL4596680 0.78 KIF11 (0.68) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL14865934 0.78 KIF11 (0.68) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL4887852 0.77 KIF11 (0.58) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL3306566 0.76 KIF11 (0.69) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL6935715 0.76 GRIA4 (0.55) KIF11CYP1A2CYP11B1CYP11B2PDE3B
SCHEMBL18713758 0.76 KIF11 (0.57) KIF11CYP1A2CYP11B1CYP11B2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885CYP1A2 4367/4885CYP11B1 780/4885

“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.