SCHEMBL16015100

SCHEMBL16015100

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALPL P05186 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
AAK1 Q2M2I8 1/20 0.37
DGAT1 O75907 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL16259718 0.91 CA1 (0.42) CSF1RCA1CA2CA9CA12
SCHEMBL17393940 0.87 CSF1R (0.42) CSF1RCA1CA2CA9CA12
SCHEMBL30519309 0.87 L3MBTL1 (0.55) CSF1RCA1CA2CA9CA12
SCHEMBL15545140 0.87 L3MBTL1 (0.55) CSF1RCA1CA2CA9CA12
SCHEMBL17394434 0.86 CA1 (0.39) CSF1RCA1CA2CA9CA12
SCHEMBL25430589 0.84 NPSR1 (0.54) CSF1RCA1CA2CA9CA12
SCHEMBL25429051 0.84 SMN1; SMN2 (0.56) CSF1RCA1CA2CA9CA12
SCHEMBL16015086 0.83 BRD4 (0.45) CA1CA2CA9CA12CA3
SCHEMBL1790022 0.82 SMN1; SMN2 (0.51) CSF1RCA1CA2CA9CA12
SCHEMBL15018762 0.81 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2ALDH1A1TSHR

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
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-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CSF1R 3964/4885CA1 4813/4885CA2 4793/4885

“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.