SCHEMBL16300054

SCHEMBL16300054

O=S(=O)(C(F)F)N(c1ccccc1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MLYCD O95822 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
NR1H3 Q13133 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HSD11B1 P28845 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
SCHEMBL17397214 0.85 APOBEC3G (0.37) MEN1ALDH1A1KMT2ACA2CA9
SCHEMBL64494 0.85 CA2 (0.43) MEN1ALDH1A1KMT2AMLYCDCA1
SCHEMBL15082546 0.81 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AMLYCDCA1
SCHEMBL624941 0.78 KMT2A (0.38) MEN1ALDH1A1KMT2AMLYCDCA1
SCHEMBL28783484 0.76 MLYCD (0.35) MEN1ALDH1A1KMT2AMLYCDCA1
SCHEMBL10059165 0.75 HSP90AA1 (0.36) MEN1ALDH1A1KMT2ACA1CA2
SCHEMBL29279172 0.74 ALDH1A1 (0.33) MEN1ALDH1A1KMT2ACA1CA2
SCHEMBL6191256 0.74 GRM2 (0.39) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL28384073 0.74 CA2 (0.35) MEN1ALDH1A1KMT2ACA1CA2
SCHEMBL7937074 0.73 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AMLYCDCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 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-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 MEN1 4606/4885ALDH1A1 259/4885KMT2A 2918/4885

“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.