SCHEMBL476823

SCHEMBL476823

Clc1cccc2nn(C3CCCO3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.39
P2RX7 Q99572 3/20 0.33
IL1B P01584 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 2/20 0.32
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 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
SCHEMBL476839 0.96 HPGD (0.37) HPGDALDH1A1P2RX7IL1BESR1
SCHEMBL114987 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL476893 0.75
SCHEMBL113156 0.75 POLB (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14300762 0.72 ALDH1A1 (0.36) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL476859 0.72 ABL1 (0.30)
SCHEMBL31638156 0.70 FLT3 (0.33)
SCHEMBL3707165 0.69 ALDH1A1 (0.45) HPGDALDH1A1P2RX7IL1BMEN1
SCHEMBL31178702 0.69 ALDH1A1 (0.33) HPGDALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL31179099 0.69 ABL1 (0.35) ALDH1A1KMT2AESR1SMN1; SMN2LMNA

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 5 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
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 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 (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 HPGD 3061/4885ALDH1A1 4174/4885P2RX7 1541/4885

“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.