SCHEMBL2168938

SCHEMBL2168938

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 4/20 0.43
EPHX2 P34913 3/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
CPB1 P15086 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2168844 1.00 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL2168847 1.00 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL2169217 0.86 IDH1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL2168979 0.86 IDH1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL2168977 0.86 IDH1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL2168826 0.83 EPHX2 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL2169834 0.82 CYP17A1 (0.45) ALDH1A1EPHX2CYP3A4TSHRCASP1
SCHEMBL1154754 0.77 IDH1 (0.50) ALDH1A1EPHX2TSHRGAACPB1
SCHEMBL4708150 0.77 IDH1 (0.50) ALDH1A1EPHX2TSHRGAACPB1
SCHEMBL1154453 0.77 IDH1 (0.50) ALDH1A1EPHX2TSHRGAACPB1

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 CA12 3721/4885CA1 3805/4885CA2 1710/4885

“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.