SCHEMBL2833455

SCHEMBL2833455

COC(=O)C12CC3CC(C1)C(N/C(=N/C#N)C(C)(C)OCc1ccc(OC)cc1)C(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.49
HSD11B2 P80365 11/20 0.49
ALDH1A1 P00352 3/20 0.40
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 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
SCHEMBL2823756 0.93 HSD11B1 (0.49) HSD11B1HSD11B2P2RX7
SCHEMBL2823363 0.93 HSD11B1 (0.49) HSD11B1HSD11B2P2RX7
SCHEMBL2827143 0.92 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL2827140 0.92 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL2825861 0.90 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2825864 0.90 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2836301 0.86 HSD11B1 (0.63) HSD11B1HSD11B2ALDH1A1
SCHEMBL2825749 0.84 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2825747 0.84 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2829986 0.84 HSD11B1 (0.53) HSD11B1HSD11B2ALDH1A1P2RX7

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 4 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
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
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 1/4885ALDH1A1 935/4885

“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.