Sugi Predict

Sugi Predict / Compounds / SCHEMBL2170125

SCHEMBL2170125

SCHEMBL2170125

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ PARL Q9H300 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2169948 0.87 KMT2A (0.44) SMN1; SMN2L3MBTL1POLBMAPTTSHR
SCHEMBL2170303 0.86 MEN1 (0.44) L3MBTL1POLBMMP2ALDH1A1HSD11B1
SCHEMBL2169997 0.85 CTSG (0.40) POLBTSHRCYP2C9ALDH1A1HSD11B1
SCHEMBL2170001 0.83 FAAH (0.40) HSD11B1KMT2A
SCHEMBL2168942 0.83 NPSR1 (0.42) SMN1; SMN2L3MBTL1NPSR1PKMGAA
SCHEMBL2170619 0.75 ALOX12 (0.38) SMN1; SMN2ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL2172137 0.74 MMP2 (0.45) L3MBTL1POLBTSHRCYP2C9MMP2
SCHEMBL2169652 0.72 HSD11B1 (0.43) SMN1; SMN2TSHRNPSR1GAAALDH1A1
SCHEMBL2169090 0.71 USP2 (0.51) TSHRACHEALDH1A1HSD11B1MAPK1
SCHEMBL2170092 0.70 HSD11B1 (0.34) SMN1; SMN2L3MBTL1CYP2D6GAAALDH1A1

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 7 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
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 SMN1; SMN2 3043/4885L3MBTL1 3693/4885POLB 3701/4885

“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.