SCHEMBL22951427

SCHEMBL22951427

CC(C)(C)S(=O)(=O)c1ccc2oncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ TRPM5 Q9NZQ8 1/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ RIPK2 O43353 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CHRNA7 P36544 1/20 0.30

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
SCHEMBL21233203 0.81 TRPM5 (0.42) TRPM5BRD4LMNAPOLB
SCHEMBL693306 0.78 TRPM5 (0.39) ALDH1A1TRPM5BRD4HSD17B10MEN1
SCHEMBL4659346 0.78 ALDH1A1 (0.41) ALDH1A1TRPM5KDM4EHPGDHSD17B10
SCHEMBL8788122 0.78 LMNA (0.47) KDM4EMEN1LMNAPKMKMT2A
SCHEMBL30952445 0.78 TRPM5 (0.39) ALDH1A1TRPM5BRD4HSD17B10MEN1
Hydrochloric Acid SCHEMBL27845581 0.77 ALDH1A1 (0.40) ALDH1A1TRPM5BRD4KDM4EHPGD
SCHEMBL12597507 0.73 CA2 (0.45) ALDH1A1
SCHEMBL13261737 0.71 ALDH1A1 (0.52) ALDH1A1PIK3CDPIK3CGCNR2KDM4E
SCHEMBL1912771 0.70 TRPM5 (0.38) ALDH1A1TRPM5KDM4EHPGDHSD17B10
SCHEMBL13993989 0.70 TRPM5 (0.47) ALDH1A1TRPM5KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — 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 (2 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 ALDH1A1 1438/4885TRPM5 4292/4885PIK3CD 1277/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 ALDH1A1 983/4885TRPM5 4049/4885PIK3CD 2478/4885

“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.

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