SCHEMBL1725409

SCHEMBL1725409

Cc1nn(C)c(C(O)c2c(F)cc(Cl)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
P2RX7 Q99572 2/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN11 Q06124 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
SLC34A1 Q06495 2/20 0.32
IGF1R P08069 1/20 0.32
AR P10275 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL1725413 0.93 HSD11B1 (0.39) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL170324 0.86 HSD11B1 (0.39) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL1726063 0.86 HSD11B1 (0.40) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL173227 0.82 HSD11B1 (0.38) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL20698181 0.81 CYP3A4 (0.31) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL20680789 0.80 HSD11B1 (0.41) HSD11B1P2RX7IGF1R
SCHEMBL174736 0.80 HSD11B1 (0.40) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL671108 0.78 HSD11B1 (0.40) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9
SCHEMBL671697 0.78 HSD11B1 (0.40) HSD11B1P2RX7CYP3A4PTPN11PGR
SCHEMBL672551 0.77 HSD11B1 (0.39) HSD11B1P2RX7CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US claimed
EP-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US claimed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO claimed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US 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
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 CN disclosed
EP-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 EP disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US 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 (7 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 1017/4885CYP3A4 6/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885P2RX7 710/4885CYP3A4 36/4885
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 HSD11B1 293/4885P2RX7 4422/4885CYP3A4 36/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885CYP3A4 6/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885CYP3A4 6/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSD11B1 1540/4885P2RX7 710/4885CYP3A4 36/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSD11B1 962/4885P2RX7 1017/4885CYP3A4 6/4885

“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.