SCHEMBL2168979

SCHEMBL2168979

O=C(NNC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.46
HSD11B1 P28845 4/20 0.44
EPHX2 P34913 3/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CPB1 P15086 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP1A2 P05177 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41

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
SCHEMBL2168977 1.00 IDH1 (0.46) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL2169217 1.00 IDH1 (0.46) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL4708150 0.90 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL1154453 0.90 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL1154754 0.90 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL1154459 0.90 IDH1 (0.50) IDH1HSD11B1EPHX2ALDH1A1GAA
SCHEMBL2168938 0.86 CA12 (0.44) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL2168844 0.86 CA12 (0.44) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL2168847 0.86 CA12 (0.44) HSD11B1EPHX2ALDH1A1GAACPB1
SCHEMBL2168826 0.84 EPHX2 (0.58) HSD11B1EPHX2ALDH1A1GAACPB1

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 3 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
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

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 IDH1 430/4885HSD11B1 1/4885EPHX2 2371/4885

“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.