Sugi Predict

Sugi Predict / Compounds / SCHEMBL805462

SCHEMBL805462

SCHEMBL805462

CC(C)(C)c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.42
▸ HSD11B1 P28845 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.39
▸ CA2 P00918 2/20 0.37
▸ TYK2 P29597 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PYCR1 P32322 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1041749 0.85 NOTUM (0.43) P2RX7HSD11B1SLC22A12TYK2NOTUM
SCHEMBL15132131 0.85 CA2 (0.46) HSD11B1CA2PDK1PDK2PDK3
SCHEMBL8225343 0.84 CA2 (0.44) P2RX7HSD11B1SLC22A12CA2PARP1
SCHEMBL13525472 0.83 CA2 (0.41) P2RX7HSD11B1SLC22A12CA2TYK2
SCHEMBL23772034 0.80 CA2 (0.46) P2RX7HSD11B1SLC22A12CA2PARP1
SCHEMBL78160 0.79 CYP1A2 (0.43) HSD11B1CA2PDK1PDK2PDK3
SCHEMBL16355401 0.77 GABRA1 (0.47) P2RX7HSD11B1SLC22A12CA2MEN1
SCHEMBL8136571 0.77 HSD11B1 (0.39) P2RX7HSD11B1SLC22A12CA2PARP1
SCHEMBL22140077 0.76 CA2 (0.46) P2RX7HSD11B1CA2PARP1MEN1
SCHEMBL22140380 0.75 CA2 (0.37) P2RX7HSD11B1CA2NOTUMPARP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-06-01 — — US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 — — US disclosed
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 — — US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 — — US disclosed
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 — — US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 — — US disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 — — US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 — — US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 — — US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 — — US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 — — US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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 (10 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 P2RX7 124/4885HSD11B1 4187/4885SLC22A12 3259/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 P2RX7 96/4885HSD11B1 4079/4885SLC22A12 1577/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP P2RX7 102/4885HSD11B1 496/4885SLC22A12 2477/4885
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF ATG7, MLST8, BECN1 P2RX7 1541/4885HSD11B1 1478/4885SLC22A12 3319/4885
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof ATG7, MLST8, BECN1 P2RX7 1701/4885HSD11B1 1324/4885SLC22A12 3459/4885
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 P2RX7 14/4885HSD11B1 1661/4885SLC22A12 3453/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 P2RX7 3611/4885HSD11B1 2476/4885SLC22A12 4672/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 P2RX7 124/4885HSD11B1 4187/4885SLC22A12 3259/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP P2RX7 102/4885HSD11B1 496/4885SLC22A12 2477/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 P2RX7 140/4885HSD11B1 4053/4885SLC22A12 4030/4885

“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.