SCHEMBL732014

SCHEMBL732014

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2nnnn2COCC[Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD11B1 P28845 1/20 0.34
TP53 P04637 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 5/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4265841 0.92 HSD11B1 (0.34) ALDH1A1HSD11B1TP53DRD2DRD3
SCHEMBL733114 0.82 CA12 (0.40) ALDH1A1HSD11B1TP53LMNADGAT1
SCHEMBL732954 0.81 DGAT1 (0.43) ALDH1A1HSD11B1LMNADGAT1HPGD
SCHEMBL732015 0.71
SCHEMBL4391166 0.69 NOTUM (0.45) ALDH1A1HSD11B1LMNA
SCHEMBL732952 0.69 NOTUM (0.45) ALDH1A1LMNA
SCHEMBL731053 0.68 CA12 (0.45)
SCHEMBL7422254 0.68 SLC7A5 (0.43) ALDH1A1LMNAHPGD
SCHEMBL24736909 0.66 STS (0.43)
SCHEMBL30116304 0.66 STS (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 ALDH1A1 113/4885HSD11B1 736/4885TP53 2365/4885

“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.