SCHEMBL2170523

SCHEMBL2170523

CC1(C)C(=O)N(C2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)N1Cc1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.39
NPSR1 Q6W5P4 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 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
SCHEMBL12012545 1.00 HSD11B1 (0.39) HSD11B1NPSR1KMT2ACYP3A4KDM4E
SCHEMBL3236390 1.00 HSD11B1 (0.39) HSD11B1NPSR1KMT2ACYP3A4KDM4E
SCHEMBL2168576 0.87 NPSR1 (0.41) HSD11B1NPSR1KMT2ACYP3A4KDM4E
SCHEMBL2169528 0.85 HSD11B1 (0.41) HSD11B1NPSR1KMT2AALDH1A1P2RX7
SCHEMBL2170377 0.85 HSD11B1 (0.41) HSD11B1NPSR1KMT2AALDH1A1P2RX7
SCHEMBL12012544 0.85 HSD11B1 (0.41) HSD11B1NPSR1KMT2AALDH1A1P2RX7
SCHEMBL2169554 0.85 HSD11B1 (0.41) HSD11B1NPSR1KMT2AALDH1A1P2RX7
SCHEMBL2181247 0.77 HSD11B1 (0.40) HSD11B1ALDH1A1P2RX7
SCHEMBL2181244 0.77 HSD11B1 (0.40) HSD11B1ALDH1A1P2RX7
SCHEMBL12012546 0.77 HSD11B1 (0.40) HSD11B1ALDH1A1P2RX7

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-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
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 HSD11B1 1/4885NPSR1 1036/4885KMT2A 3619/4885

“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.