SCHEMBL2828249

SCHEMBL2828249

CC(C)(Oc1ccccc1)/C(=N\C#N)NC12CCC(C(N)=O)(CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.47
HSD11B2 P80365 8/20 0.47
PPARA Q07869 3/20 0.32
CTSL P07711 1/20 0.32
PPARG P37231 2/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
PTGFR P43088 1/20 0.30

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
SCHEMBL2828251 1.00 HSD11B1 (0.47) HSD11B1HSD11B2PPARACTSLPPARG
SCHEMBL2824690 0.94 HSD11B1 (0.54) HSD11B1HSD11B2PPARACTSLPPARG
SCHEMBL2824686 0.94 HSD11B1 (0.54) HSD11B1HSD11B2PPARACTSLPPARG
SCHEMBL2826143 0.90 HSD11B1 (0.61) HSD11B1HSD11B2PPARAPPARG
SCHEMBL2826146 0.90 HSD11B1 (0.61) HSD11B1HSD11B2PPARAPPARG
SCHEMBL2824436 0.87 HSD11B1 (0.43) HSD11B1HSD11B2PPARGPTGFR
SCHEMBL2824435 0.87 HSD11B1 (0.43) HSD11B1HSD11B2PPARGPTGFR
SCHEMBL2828210 0.84 HSD11B1 (0.32) HSD11B1HSD11B2
SCHEMBL2828207 0.84 HSD11B1 (0.32) HSD11B1HSD11B2
SCHEMBL2824282 0.83 HSD11B1 (0.69) HSD11B1HSD11B2PPARAPPARG

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 6 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
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
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 1/4885PPARA 650/4885

“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.