SCHEMBL20445101

SCHEMBL20445101

CC(C)(C)OC(=O)n1cc(O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL20438154 0.83 BUB1 (0.38) BUB1BCHEHTR6KDM4EMAPT
SCHEMBL16653120 0.80 TK1 (0.43) BUB1MAPK1
SCHEMBL15616807 0.79 LMNA (0.46) BUB1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL4156346 0.79 TYMP (0.45) BUB1BCHEKDM4EMAPTTHRB
SCHEMBL5334520 0.79 TYMP (0.45) BUB1BCHEKDM4EMAPTTHRB
SCHEMBL8235112 0.79 SQOR (0.49) BUB1BCHE
SCHEMBL31094710 0.78 CYP1A2 (0.38) BUB1BCHEKDM4EMAPTTHRB
SCHEMBL7834254 0.76 THRB (0.34) BUB1BCHEKDM4EMAPTTHRB
SCHEMBL7821308 0.76 BUB1 (0.34) BUB1BCHEHTR6KDM4EMAPT
SCHEMBL18447676 0.75 KIT (0.42) BCHEMAPTL3MBTL1SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides FMC CORPORATION (US) 2021-11-23 — — US disclosed
US-10653148-B2 — — 2020-05-19 — — US disclosed
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORPORATION 2018-08-02 — — 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 (3 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-10653148-B2 — CYP1B1, CYP1A1, C5 BUB1 1310/4885BCHE 3526/4885HTR6 3756/4885
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides CHRM2, NIT2, CHRM1 BUB1 1772/4885BCHE 846/4885HTR6 2797/4885
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES CHRM2, NIT2, CHRM1 BUB1 1772/4885BCHE 846/4885HTR6 2797/4885

“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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