SCHEMBL3712017

SCHEMBL3712017

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1N(C=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.34
BTK Q06187 3/20 0.34

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
SCHEMBL12476419 0.75
SCHEMBL476880 0.73 ALDH1A1 (0.34)
SCHEMBL11927624 0.71 LPL (0.44) JAK2BTK
SCHEMBL1468223 0.69 JAK2 (0.40) JAK2BTK
SCHEMBL17699585 0.68 BTK (0.41) JAK2BTK
SCHEMBL17699662 0.68 BTK (0.40) JAK2BTK
SCHEMBL29782393 0.68 BTK (0.41) JAK2BTK
SCHEMBL29782721 0.68 BTK (0.40) JAK2BTK
SCHEMBL18976231 0.68 JAK2 (0.37) JAK2BTK
SCHEMBL16183639 0.67 JAK2 (0.51) JAK2BTK

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
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 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 (1 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK JAK2 1574/4885BTK 27/4885

“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.