SCHEMBL2837023

SCHEMBL2837023

CC1C2CC3CC(CC1(C(=O)O)C3)C2NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL1846642 0.79 HSD11B1 (0.56) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL2825063 0.79 HSD11B1 (0.56) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL12578487 0.79 HSD11B1 (0.56) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1845687 0.79 HSD11B1 (0.56) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1846641 0.79 HSD11B1 (0.56) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL4708150 0.78 IDH1 (0.50) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1154459 0.78 IDH1 (0.50) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1154754 0.78 IDH1 (0.50) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1154453 0.78 IDH1 (0.50) CPB1ALDH1A1GAAHSD11B1TSHR
SCHEMBL1154275 0.77 CPB1 (0.50) CPB1ALDH1A1GAAHSD11B1TSHR

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 CPB1 1713/4885ALDH1A1 935/4885GAA 1238/4885

“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.