SCHEMBL7981702

SCHEMBL7981702

COc1cc(F)ccc1OC(C)(C)C(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
ADORA2A P29274 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
GCK P35557 2/20 0.41
CYP2C9 P11712 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSD P07339 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1417642 0.88 GCK (0.50) HSD11B1ADORA2ACYP1A2CYP2C19CYP3A4
SCHEMBL7991795 0.83 CTSD (0.51) CYP1A2KMT2AALDH1A1CTSDSMN1; SMN2
SCHEMBL7984216 0.83 HSD11B1 (0.53) HSD11B1GCKMEN1KMT2AALDH1A1
SCHEMBL1333446 0.82 HSD11B1 (0.49) HSD11B1CYP1A2CYP2C19CYP3A4FFAR1
Bicarbonate SCHEMBL5984739 0.79 HSD11B1 (0.47) HSD11B1CYP1A2CYP2C19CYP3A4FFAR1
SCHEMBL1417502 0.77 HSD11B1 (0.51) HSD11B1CYP1A2CYP2C19GCKALDH1A1
Bicarbonate SCHEMBL5984748 0.77 HSD11B1 (0.46) HSD11B1CYP1A2CYP2C19CYP3A4FFAR1
Bicarbonate SCHEMBL5984744 0.77 HSD11B1 (0.46) HSD11B1CYP1A2CYP2C19CYP3A4FFAR1
SCHEMBL7981278 0.76 FBP1 (0.60) HSD11B1CYP1A2CYP3A4
SCHEMBL1417538 0.75 ALDH1A1 (0.49) HSD11B1ADORA2ACYP1A2CYP2C19CYP3A4

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-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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP 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 1/4885ADORA2A 4108/4885CYP1A2 320/4885

“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.