SCHEMBL2824435

SCHEMBL2824435

CC(C)(Oc1ccccc1)/C(=N\C#N)NC12CCC(C(=O)O)(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.43
HSD11B2 P80365 6/20 0.43
PTGFR P43088 11/20 0.37
PPARG P37231 1/20 0.33

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
SCHEMBL2824436 1.00 HSD11B1 (0.43) HSD11B1HSD11B2PTGFRPPARG
SCHEMBL2824686 0.91 HSD11B1 (0.54) HSD11B1HSD11B2PTGFRPPARG
SCHEMBL2824690 0.91 HSD11B1 (0.54) HSD11B1HSD11B2PTGFRPPARG
SCHEMBL2823263 0.90 HSD11B1 (0.55) HSD11B1HSD11B2PPARG
SCHEMBL2823261 0.90 HSD11B1 (0.55) HSD11B1HSD11B2PPARG
SCHEMBL2823530 0.87 HSD11B1 (0.35) HSD11B1HSD11B2PPARG
SCHEMBL2823532 0.87 HSD11B1 (0.35) HSD11B1HSD11B2PPARG
SCHEMBL2828251 0.87 HSD11B1 (0.47) HSD11B1HSD11B2PTGFRPPARG
SCHEMBL2828249 0.87 HSD11B1 (0.47) HSD11B1HSD11B2PTGFRPPARG
SCHEMBL2827103 0.86 HSD11B1 (0.34) HSD11B1HSD11B2PPARG

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-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US claimed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 HSD11B1 2/4885HSD11B2 1/4885PTGFR 2768/4885

“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.