SCHEMBL6292857

SCHEMBL6292857

COC(=O)c1c(OC(C)=O)cc(C(Br)Br)cc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TNFSF11 O14788 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFD P00746 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 2/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 4/20 0.35
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 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
SCHEMBL6290006 0.79 POLB (0.63) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL7945941 0.79 POLB (0.58) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL6292873 0.77 POLB (0.53) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL30730119 0.74 CA12 (0.38) POLBCA12CA1CA2CA7
SCHEMBL7003913 0.73 POLB (0.56) POLBRAB9ANPC1SMN1; SMN2CA12
SCHEMBL9246548 0.70 POLB (0.60) POLBTNFSF11TSHRBACE1KDM4E
SCHEMBL167840 0.69 POLB (0.38) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL28602356 0.69 CYP3A4 (0.61) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL11525740 0.69 POLB (1.00) POLBTNFSF11RAB9ANPC1PKM
SCHEMBL17185142 0.68 CYP4F2 (0.39) POLBTNFSF11RAB9ANPC1PKM

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 9 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
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP 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
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 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 POLB 1127/4885TNFSF11 3866/4885RAB9A 2428/4885

“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.