SCHEMBL4550792

SCHEMBL4550792

COC(=O)[C@@H](C)CC(C)(C)[Si](C)(C)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 1/20 0.32
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13761744 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CA1CA2MMP8CA14
SCHEMBL10040223 0.83 ALDH1A1 (0.38) MMP8ALDH1A1
SCHEMBL13448432 0.78
SCHEMBL4550793 0.78 GABRR1 (0.37) ALDH1A1
SCHEMBL4550889 0.78 GABRR1 (0.37) ALDH1A1
SCHEMBL13448433 0.78
SCHEMBL14948713 0.77 ESRRB (0.43) ALDH1A1
SCHEMBL17236358 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2MMP8CA14
SCHEMBL5539779 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2MMP8CA14
SCHEMBL19143548 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 WO disclosed
US-8168648-B2 Camptothecin derivatives and uses thereof TAIWAN LIPOSOME CO., LTD. (TW) 2012-05-01 US disclosed
US-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF TAIWAN LIPOSOME CO. LTD. (TW) 2010-09-09 US disclosed
US-7271185-B2 Optically active azole derivative and process for producing the same MITSUI CHEMICALS, INC. (JP) 2007-09-18 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 (2 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-20100227877-A1 NEW CAMPTOTHECIN DERIVATIVES AND USES THEREOF LDHA, LDHB, TOP2A SMN1; SMN2 4581/4885CA1 1731/4885CA2 975/4885
US-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 SMN1; SMN2 4837/4885CA1 2502/4885CA2 1052/4885

“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.