SCHEMBL6289945

SCHEMBL6289945

CNC(=O)OC(C)(C)C.N#CCOC(=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
CTSS P25774 7/20 0.41
CTSK P43235 4/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Methyl Salicylate SCHEMBL6289405 0.82 LMNA (0.67) ADRB2ADRB1ADRB3TDP1LMNA
Salicylic Acid SCHEMBL6290023 0.77 HPGD (0.56) TDP1LMNATSHRALDH1A1HTT
SCHEMBL6290022 0.77 TDP1 (0.50) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL7606699 0.76 CTSS (0.42) ADRB2ADRB1ADRB3CTSSCTSK
SCHEMBL6289943 0.75 KCNA5 (0.43) TSHRCTSSCTSKCTSLCTSB
SCHEMBL14062835 0.73 NPC1 (0.66) TDP1LMNATSHRALDH1A1L3MBTL1
SCHEMBL31512974 0.72 NPC1 (0.56) TDP1LMNATSHRALDH1A1KMT2A
SCHEMBL39310 0.72 LMNA (0.62) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL29701290 0.72 LMNA (0.62) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL5815155 0.72 TSHR (0.54) ADRB2ADRB1ADRB3TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 US disclosed
US-6414122-B1 BIOCHEMICAL CONJUGATION TO PROTEINS, PEPTIDES, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, LIPOSOMES, RADIONUCLIDES, HAPTENS, AND TOXINS PROLINX, INC. 2002-07-02 US disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 ADRB2 1456/4885ADRB1 2472/4885ADRB3 2367/4885

“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.