SCHEMBL22026533

SCHEMBL22026533

[2H]C([2H])([2H])Oc1cc(C(=O)OC)cc(OC([2H])([2H])[2H])c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CNR2 P34972 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ XDH P47989 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ GFER P55789 1/20 0.46

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
SCHEMBL2114318 0.88 KMT2A (0.61) KMT2ARXFP1MEN1KDM4EALDH1A1
Methyl Syringate SCHEMBL30311469 0.85 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1CA1
SCHEMBL22026515 0.81 CA12 (0.52) KMT2ARXFP1MEN1KDM4EALDH1A1
SCHEMBL12604683 0.81 NOTUM (0.56) KMT2AMEN1KDM4EALDH1A1CA1
Veratric Acid Methyl Ester SCHEMBL2371276 0.80 MAPT (0.70) KMT2AMEN1KDM4EALDH1A1CA1
SCHEMBL18969524 0.79 KMT2A (0.51) KMT2ARXFP1MEN1KDM4EALDH1A1
Veratric Acid Methyl Ester SCHEMBL3661352 0.79 MAPT (0.73) KMT2AMEN1KDM4EALDH1A1CA1
SCHEMBL6066809 0.78 CNR2 (0.62) KMT2ARXFP1MEN1KDM4EALDH1A1
SCHEMBL20763257 0.77 KMT2A (0.54) KMT2ARXFP1MEN1KDM4EALDH1A1
SCHEMBL16069743 0.76 CNR2 (0.53) KMT2ARXFP1MEN1KDM4EALDH1A1

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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 — — US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 — — US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 — — 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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN KMT2A 579/4885RXFP1 4803/4885MEN1 4053/4885
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN KMT2A 579/4885RXFP1 4803/4885MEN1 4053/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN KMT2A 579/4885RXFP1 4803/4885MEN1 4053/4885

“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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