SCHEMBL7982078

SCHEMBL7982078

CC(C)(Oc1ccc(F)cc1Cl)c1nnc(-c2ccc(C(N)=O)cc2Cl)n1C1CC1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
HSD11B2 P80365 3/20 0.38
PYGL P06737 1/20 0.35
MAP3K14 Q99558 1/20 0.35
PTPN11 Q06124 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
SCHEMBL7984202 0.94 OPRM1 (0.36) HSD11B1HSD11B2PYGL
SCHEMBL7978176 0.94 OPRM1 (0.36) HSD11B1
SCHEMBL12671342 0.89 SCN9A (0.37) HSD11B1MAP3K14
SCHEMBL7980753 0.89 MEN1 (0.38) HSD11B1HSD11B2
SCHEMBL7984903 0.87 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL7984992 0.87 HSD11B1 (0.34) HSD11B1
SCHEMBL7978178 0.86 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL1418168 0.86 OPRM1 (0.38) MAP3K14
SCHEMBL7984885 0.85 HSD11B1 (0.36) HSD11B1
SCHEMBL7981160 0.84 ACSS2 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885HSD11B2 2/4885PYGL 3176/4885

“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.