SCHEMBL2229024

SCHEMBL2229024

COc1ccc2ccc(OCCC3CCN(C(=O)OCc4cscn4)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
GPR119 Q8TDV5 7/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CHEK2 O96017 1/20 0.38
ENPP2 Q13822 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
AKR1C3 P42330 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2227230 0.98 GRIN2B (0.44) GRIN2BMMP2MMP9GPR119KDM4E
SCHEMBL2229045 0.92 MMP2 (0.45) GRIN2BMMP2MMP9GPR119CHEK2
SCHEMBL2228990 0.88 MMP2 (0.46) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2227262 0.88 MMP2 (0.41) GRIN2BMMP2MMP9GPR119CHEK2
SCHEMBL2228170 0.87 MMP2 (0.47) GRIN2BMMP2MMP9GPR119CHEK2
SCHEMBL2228462 0.87 MMP2 (0.40) GRIN2BMMP2MMP9GPR119CHEK2
SCHEMBL2228470 0.86 MMP2 (0.47) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2229979 0.86 MMP2 (0.41) MMP2MMP9GPR119CHEK2ENPP2
SCHEMBL2227489 0.85 MMP2 (0.42) GRIN2BMMP2MMP9GPR119HPGD
SCHEMBL2228401 0.84 MAPT (0.47) GRIN2BMMP2MMP9KDM4EALDH1A1

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-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US claimed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP claimed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US disclosed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP disclosed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US disclosed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO 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-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION PRMT9, PRMT8, CBR1 GRIN2B 362/4885MMP2 2880/4885MMP9 522/4885

“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.