SCHEMBL2174029

SCHEMBL2174029

COc1ccc(S(=O)(=O)N2CC(=O)N2C2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.51
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
PKLR P30613 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 2/20 0.45
HSD11B1 P28845 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL2168896 0.86 MMP2 (0.48) MMP2PKMALDH1A1CYP2C19HTT
SCHEMBL2169858 0.83 MMP2 (0.48) MMP2PKMALDH1A1HTTHSD11B1
SCHEMBL2172137 0.83 MMP2 (0.45) MMP2PKMRAB9AALDH1A1CYP2C9
SCHEMBL2180358 0.73 CMA1 (0.43) ALDH1A1CYP2D6CYP2C19HTTMAPT
SCHEMBL2169990 0.67 HSD11B1 (0.45) RAB9AALDH1A1HSD11B1MAPTCTSG
SCHEMBL2168998 0.67 HSD11B1 (0.41) RAB9AALDH1A1HSD11B1SMN1; SMN2MAPT
SCHEMBL1722721 0.66 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL31315853 0.66 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL7249519 0.64 PKM (0.62) MMP2PKMNPC1PKLRRAB9A
SCHEMBL1044915 0.64 HTT (0.96) PKMNPC1PKLRRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 MMP2 1830/4885PKM 2561/4885NPC1 155/4885

“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.