SCHEMBL7982228

SCHEMBL7982228

C[C@@H](Oc1ncc(C(F)(F)F)cc1Cl)c1nnc(-c2ccccc2C(F)(F)F)n1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.51
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD11B2 P80365 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7985076 1.00 HSD11B1 (0.51) HSD11B1CYP1A2CYP3A4CYP2C19HSD11B2
SCHEMBL7984554 1.00 HSD11B1 (0.51) HSD11B1CYP1A2CYP3A4CYP2C19HSD11B2
SCHEMBL7987984 0.89 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL12671005 0.87 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL7991818 0.85 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL7983813 0.84 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL7981679 0.84 HSD11B1 (0.53) HSD11B1
SCHEMBL7991812 0.82 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL7968411 0.82 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL12671000 0.81 HSD11B1 (0.47) 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 1/4885CYP1A2 320/4885CYP3A4 386/4885

“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.