SCHEMBL17394192

SCHEMBL17394192

CC(C)CS(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.55
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
CA2 P00918 3/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PSIP1 O75475 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
CA1 P00915 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17394071 0.82 ENPP2 (0.52) ENPP2LPLLIPGMMP13MMP1
SCHEMBL248212 0.80 ENPP2 (0.63) ENPP2LPLLIPGCA2PSIP1
SCHEMBL2923150 0.79 CA2 (0.52) ENPP2MMP13MMP1CA2MEN1
SCHEMBL778303 0.78 PSIP1 (0.60) MEN1ALDH1A1KMT2APSIP1
SCHEMBL28159944 0.77 MMP13 (0.46) MMP13MMP1MEN1ALDH1A1KMT2A
SCHEMBL2779200 0.76 ALDH1A1 (0.57) CA2MEN1ALDH1A1KMT2ACA1
SCHEMBL20323484 0.76 CA1 (0.52) MMP13MMP1CA2MEN1ALDH1A1
SCHEMBL299031 0.76 ENPP2 (0.57) ENPP2LPLLIPGCA2MEN1
SCHEMBL3067678 0.75 MMP13 (0.42) MMP13MMP1MEN1ALDH1A1KMT2A
SCHEMBL387800 0.75 ENPP2 (0.61) ENPP2LPLLIPGCA2ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ENPP2 3058/4885LPL 862/4885LIPG 876/4885

“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.