Sugi Predict

Sugi Predict / Compounds / SCHEMBL155393

SCHEMBL155393

SCHEMBL155393

COC(=O)Cc1c(F)cc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.46
▸ GAA P10253 6/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL12275384 0.86 HSP90AB1 (0.58) HSP90AB1GAAL3MBTL1ALDH1A1GFER
SCHEMBL1462197 0.85 TAAR1 (0.52) HSP90AB1GAAL3MBTL1ALDH1A1GFER
SCHEMBL22830383 0.85 HSP90AB1 (0.43) HSP90AB1GAAL3MBTL1ALDH1A1GFER
SCHEMBL31069431 0.82 PDGFRB (0.46) HSP90AB1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12124458 0.82 HSP90AB1 (0.41) HSP90AB1GAAL3MBTL1ALDH1A1GFER
SCHEMBL512668 0.81 LMNA (0.43) GAAL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9985451 0.80 SMN1; SMN2 (0.56) GAAL3MBTL1ALDH1A1GFERSMN1; SMN2
SCHEMBL17391196 0.79 PDGFRB (0.43) HSP90AB1GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL1115348 0.78 HSP90AB1 (0.62) HSP90AB1GAAL3MBTL1ALDH1A1GFER
SCHEMBL1560230 0.77 RIPK1 (0.42) ALDH1A1RIPK1CYP4F2CYP4A11CES2

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
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 — — EP disclosed
CN-107011326-B Fungicidal pyrazoles compound FMC公司 2019-11-12 — — CN disclosed
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
CN-107011326-A Fungicidal pyrazoles compound 纳幕尔杜邦公司 2017-08-04 — — CN 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-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
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
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 — — EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 — — US disclosed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 — — CN disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 — — 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
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 — — WO disclosed
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 — — 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 HSP90AB1 4058/4885GAA 4069/4885L3MBTL1 1633/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSP90AB1 1975/4885GAA 2812/4885L3MBTL1 697/4885
US-20070208038-A1 6-(2-Fluorophenyl)-Triazolopyrimidines, Method for Producing Them, Their use for Controlling Parasitic Fungi and Agents Containing the Same CBR1, CBR3, DPM1 HSP90AB1 2803/4885GAA 3771/4885L3MBTL1 111/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSP90AB1 1975/4885GAA 2812/4885L3MBTL1 697/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 HSP90AB1 4058/4885GAA 4069/4885L3MBTL1 1633/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HSP90AB1 1975/4885GAA 2812/4885L3MBTL1 697/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 HSP90AB1 4058/4885GAA 4069/4885L3MBTL1 1633/4885

“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.