SCHEMBL2829989

SCHEMBL2829989

COc1ccc(COC(C)(C)C(=S)NC2C3CC4CC2C(C)C(C(=O)O)(C4)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.41
HSD11B2 P80365 12/20 0.41
P2RX2 Q9UBL9 1/20 0.37
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2836303 0.92 HSD11B1 (0.48) HSD11B1HSD11B2
SCHEMBL2829505 0.90 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL2833457 0.86 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL2823724 0.84 HSD11B1 (0.53) HSD11B1HSD11B2P2RX2P2RX7
SCHEMBL2829986 0.81 HSD11B1 (0.53) HSD11B1HSD11B2P2RX2P2RX7ALDH1A1
SCHEMBL2829486 0.77 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL2830119 0.76 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL2824506 0.75 HSD11B1 (0.63) HSD11B1HSD11B2
SCHEMBL2827145 0.75 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2837023 0.75 CPB1 (0.43) HSD11B1ALDH1A1

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 2 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 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 1/4885P2RX2 3870/4885

“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.