SCHEMBL2171730

SCHEMBL2171730

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 5/20 0.46
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL12473228 0.85 HPGD (0.42) HPGDALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL13368830 0.80 USP2 (0.39)
SCHEMBL2169195 0.80 PKM (0.40) HPGDALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL2170502 0.80 RAB9A (0.43) HPGDKMT2AMEN1
SCHEMBL2169179 0.79 KMT2A (0.39) L3MBTL1HPGDALDH1A1HSD17B10KMT2A
SCHEMBL2170275 0.79 ALDH1A1 (0.40) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL2170194 0.79 USP2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2170348 0.79 USP2 (0.38) L3MBTL1HPGDKMT2AMEN1POLB
SCHEMBL2169090 0.79 USP2 (0.51) ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL2168700 0.79 MT-CO2 (0.35) L3MBTL1HPGDALDH1A1POLBGAA

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 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US claimed
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

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 L3MBTL1 3693/4885HPGD 101/4885ALDH1A1 157/4885

“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.