SCHEMBL10315971

SCHEMBL10315971

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
BIRC2 Q13490 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL15653580 0.91 TSHR (0.34) TSHR
SCHEMBL10857190 0.86 TSHR (0.31) TSHR
SCHEMBL9802582 0.85 TSHR (0.32) TSHRBIRC2
SCHEMBL16157239 0.85 GAA (0.36) TSHR
SCHEMBL4135098 0.85 TSHR (0.30) TSHR
SCHEMBL15966868 0.85 MGAM (0.36) TSHR
SCHEMBL8194318 0.85 TSHR (0.32) TSHRBIRC2
SCHEMBL4135094 0.85 TSHR (0.30) TSHR
SCHEMBL10858660 0.85 TSHR (0.30) TSHR
SCHEMBL15966867 0.85 MGAM (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933195-B2 Histone deacetylase inhibitors and synthetic method thereof and use thereof in manufacture of medicaments NANJING YOKO BIOMEDICAL R & D LTD. (CN) 2015-01-13 US disclosed
US-20140243501-A1 HISTONE DEACETYLASE INHIBITORS AND SYNTHETIC METHOD THEREOF AND USE THEREOF IN MANUFACTURE OF MEDICAMENTS NANJING YOKO BIOMEDICAL R & D LTD. [CN/CN] (CN) 2014-08-28 US disclosed
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
US-8258321-B2 Beta-lactone compounds BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-09-04 US disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 US disclosed
US-20090124681-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 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 (3 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-20090124681-A1 BETA-LACTONE COMPOUNDS LBR, CYP8B1, GLB1 TSHR 264/4885BIRC2 1244/4885CA1 1772/4885
US-20140243501-A1 HISTONE DEACETYLASE INHIBITORS AND SYNTHETIC METHOD THEREOF AND USE THEREOF IN MANUFACTURE OF MEDICAMENTS HDAC1, HDAC11, HDAC2 TSHR 1488/4885BIRC2 4263/4885CA1 893/4885
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines CHRM1, CHRNA1, CHRM3 TSHR 82/4885BIRC2 4540/4885CA1 4471/4885

“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.