SCHEMBL671108

SCHEMBL671108

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
P2RX7 Q99572 3/20 0.34
CYP3A4 P08684 3/20 0.33
SLC34A1 Q06495 4/20 0.33
PTPN11 Q06124 1/20 0.33
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE7A Q13946 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 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
SCHEMBL671697 0.88 HSD11B1 (0.40) HSD11B1PGRNR3C2P2RX7CYP3A4
SCHEMBL672551 0.87 HSD11B1 (0.39) HSD11B1PGRNR3C2P2RX7CYP3A4
SCHEMBL170324 0.87 HSD11B1 (0.39) HSD11B1PGRNR3C2P2RX7CYP3A4
SCHEMBL15952683 0.83 PGR (0.31) PGRNR3C2CYP3A4CYP1A2CYP2C9
SCHEMBL1726063 0.82 HSD11B1 (0.40) HSD11B1P2RX7CYP3A4PTPN11PDE2A
SCHEMBL1725413 0.80 HSD11B1 (0.39) HSD11B1PGRNR3C2P2RX7CYP3A4
SCHEMBL173227 0.78 HSD11B1 (0.38) HSD11B1P2RX7CYP3A4PTPN11PDE2A
SCHEMBL1725409 0.78 HSD11B1 (0.39) HSD11B1PGRNR3C2P2RX7CYP3A4
SCHEMBL20698175 0.76 HSD11B1 (0.49) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL20680789 0.74 HSD11B1 (0.41) HSD11B1P2RX7PDE2APDE10APDE7A

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-2012024586-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO claimed
WO-2012023143-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-2012024586-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-23 WO disclosed
WO-2012023143-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 788/4885PGR 1045/4885NR3C2 1878/4885

“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.