SCHEMBL2829862

SCHEMBL2829862

CC(C)(OCc1cccc(C(F)(F)F)c1)C(=NC#N)NC1C2CC3CC1CC(C(=O)O)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.46
HSD11B2 P80365 10/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.37
ADAM17 P78536 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL2829860 1.00 HSD11B1 (0.46) HSD11B1HSD11B2SMN1; SMN2MAOBADAM17
SCHEMBL2822861 0.93 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL2822860 0.93 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL2823389 0.90 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2823386 0.90 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2823485 0.90 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2823482 0.90 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL2827821 0.89 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL2827818 0.89 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL2826547 0.88 HSD11B1 (0.51) HSD11B1HSD11B2

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 1/4885SMN1; SMN2 2135/4885

“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.