SCHEMBL19209928

SCHEMBL19209928

CC(C)OC(=O)C(O)(C(=O)O)C(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 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
SCHEMBL19209926 0.90 MEN1 (0.34) MEN1KMT2ATSHRHCAR2
SCHEMBL6059540 0.74 ALDH1A1 (0.37) MEN1KMT2ATSHR
SCHEMBL28145028 0.71 TSHR (0.40) MEN1KMT2ATSHRHCAR2
SCHEMBL20564587 0.69 TSHR (0.48) MEN1KMT2ATSHRHCAR2HTT
SCHEMBL622786 0.69 TSHR (0.42) MEN1KMT2ATSHRHCAR2HTT
SCHEMBL2098739 0.69 TSHR (0.42) MEN1KMT2ATSHRHCAR2HTT
SCHEMBL448528 0.67 TSHR (0.46) MEN1KMT2ATSHRHCAR2HTT
SCHEMBL2244400 0.67 MEN1 (0.37) MEN1KMT2ATSHRHCAR2
SCHEMBL2246646 0.67 MEN1 (0.37) MEN1KMT2ATSHRHCAR2
SCHEMBL11419549 0.66 ALDH1A1 (0.36) TSHR

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-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO 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-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 MEN1 2759/4885KMT2A 1120/4885TSHR 2497/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 MEN1 2668/4885KMT2A 1125/4885TSHR 2607/4885

“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.