SCHEMBL7991799

SCHEMBL7991799

CC(C)(Oc1cccc(Cl)c1)C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.55
HSD11B1 P28845 3/20 0.51
HSD11B2 P80365 3/20 0.51
CNR1 P21554 2/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
PPARA Q07869 3/20 0.44
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.42
WDR5 P61964 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL7998547 0.83 CYP3A4 (0.45) HSD11B1HSD11B2CNR1CNR2ALDH1A1
SCHEMBL12670847 0.83 LMNA (0.47) ALDH1A1PPARAKDM4EMAPT
SCHEMBL7994910 0.82 CNR1 (0.48) CNR1CNR2ALDH1A1POLBPPARA
SCHEMBL17859584 0.81 HSD11B1 (0.46) OGG1HSD11B1HSD11B2CNR1CNR2
SCHEMBL3374117 0.81 PPARA (0.64) OGG1HSD11B1HSD11B2CNR1CNR2
SCHEMBL9588829 0.81 HSD11B1 (0.49) OGG1HSD11B1HSD11B2CNR1CNR2
SCHEMBL1417865 0.81 PPARA (0.65) HSD11B1HSD11B2CNR1CNR2ALDH1A1
SCHEMBL7992968 0.78 CNR1 (0.43) OGG1CNR1CNR2MEN1KMT2A
SCHEMBL12670838 0.78 PDK1 (0.44) CNR1CNR2
SCHEMBL7980965 0.77 ALDH1A1 (0.43) HSD11B1HSD11B2CNR1CNR2ALDH1A1

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 OGG1 2986/4885HSD11B1 1/4885HSD11B2 2/4885

“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.