SCHEMBL671697

SCHEMBL671697

Cc1nn(C)c(C(F)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CYP3A4 P08684 2/20 0.37
P2RX7 Q99572 5/20 0.36
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
SLC34A1 Q06495 4/20 0.33
PTPN11 Q06124 1/20 0.33
PDE2A O00408 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL671108 0.88 HSD11B1 (0.40) HSD11B1CYP3A4P2RX7PGRNR3C2
SCHEMBL672551 0.87 HSD11B1 (0.39) HSD11B1CYP3A4P2RX7PGRNR3C2
SCHEMBL170324 0.87 HSD11B1 (0.39) HSD11B1CYP3A4P2RX7PGRNR3C2
SCHEMBL1726063 0.82 HSD11B1 (0.40) HSD11B1CYP3A4P2RX7PTPN11PDE2A
SCHEMBL1725413 0.80 HSD11B1 (0.39) HSD11B1CYP3A4P2RX7PGRNR3C2
SCHEMBL173227 0.78 HSD11B1 (0.38) HSD11B1CYP3A4P2RX7PTPN11PDE2A
SCHEMBL1725409 0.78 HSD11B1 (0.39) HSD11B1CYP3A4P2RX7PGRNR3C2
SCHEMBL173619 0.77 HSD11B1 (0.47) HSD11B1CYP3A4P2RX7PTPN11PDE2A
SCHEMBL29520229 0.77 HSD11B1 (0.47) HSD11B1CYP3A4P2RX7PTPN11PDE2A
SCHEMBL20698175 0.76 HSD11B1 (0.49) HSD11B1P2RX7PTPN11PDE2APDE7A

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-20130123323-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-16 US claimed
WO-2012023143-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO claimed
WO-2012024586-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO claimed
US-20130123323-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-16 US disclosed
WO-2012023143-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO disclosed
WO-2012024586-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 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-20130123323-A1 FUNGICIDAL PYRAZOLES CBR3, CYP1A1, CYP1B1 HSD11B1 788/4885CYP3A4 9/4885P2RX7 517/4885

“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.