Sugi Predict

Sugi Predict / Compounds / SCHEMBL171101

SCHEMBL171101

SCHEMBL171101

Cc1nn(C)c(Br)c1-c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.47
▸ P2RX7 Q99572 3/20 0.41
▸ PTPN11 Q06124 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PDE6D O43924 1/20 0.36
▸ PDE6A P16499 1/20 0.36
▸ PDE6G P18545 1/20 0.36
▸ PDE6B P35913 1/20 0.36
▸ PDE6C P51160 1/20 0.36
▸ PDE6H Q13956 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL20698175 0.85 HSD11B1 (0.49) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL29520229 0.82 HSD11B1 (0.47) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL17514923 0.82 HSD11B1 (0.47) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL173619 0.82 HSD11B1 (0.47) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL28135840 0.80 HSD11B1 (0.45) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL28835084 0.79 HSD11B1 (0.44) HSD11B1P2RX7PTPN11PDE2APDE10A
SCHEMBL168717 0.79 HSD11B1 (0.39) HSD11B1P2RX7CYP3A4GAAIGF1R
SCHEMBL1074741 0.78 P2RX7 (0.42) HSD11B1P2RX7LMNACYP3A4ALDH1A1
SCHEMBL9997757 0.78 HSD11B1 (0.38) HSD11B1P2RX7IGF1R
SCHEMBL30308993 0.77 MAPK1 (0.44) HSD11B1P2RX7LMNACYP3A4GAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 — — EP disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 — — US disclosed
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 — — WO disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 — — US disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 — — US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 — — US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 — — US disclosed
EP-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 — — EP disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 — — EP disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 — — US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 — — WO 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
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 — — EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 — — US disclosed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 — — US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 — — EP disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 — — WO disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 — — WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 — — 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 (6 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885PTPN11 1104/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885P2RX7 710/4885PTPN11 352/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885PTPN11 1104/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885P2RX7 710/4885PTPN11 352/4885
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 HSD11B1 1193/4885P2RX7 999/4885PTPN11 450/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885PTPN11 1104/4885

“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.