SCHEMBL15499253

SCHEMBL15499253

COC(=O)C[C@H](N[S@+]([O-])C(C)C)c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CTSA P10619 2/20 0.34
POLB P06746 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MDM2 Q00987 3/20 0.34
RECQL P46063 1/20 0.33
KCNK3 O14649 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL12525647 0.84 CTSA (0.36) ALDH1A1MAPTHTTCES2CES1
SCHEMBL15499254 0.79 CTSA (0.37) ALDH1A1MAPTCTSARAB9A
SCHEMBL12525150 0.73 MAPT (0.46) ALDH1A1MAPTHTTCES2CES1
SCHEMBL12494482 0.72 EEF2K (0.41) CES2CES1CTSA
SCHEMBL12494479 0.72 EEF2K (0.41) CES2CES1CTSA
SCHEMBL12603948 0.68 MAPT (0.40) ALDH1A1MAPTHTTPOLBMDM2
SCHEMBL24036882 0.68 FDFT1 (0.37) MAPTHTTCTSAPSEN1PSEN2
SCHEMBL25752818 0.68 CTSA (0.35) ALDH1A1MAPTHTTCTSARAB9A
SCHEMBL25753619 0.68 FDFT1 (0.37) MAPTHTTCTSAPSEN1PSEN2
SCHEMBL31560789 0.67 CES2 (0.46) ALDH1A1CES2CES1POLBPSEN1

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
US-8895547-B2 Substituted phenyl-oxathiazine derivatives, method for producing them, drugs containing said compounds and the use thereof SANOFI (FR) 2014-11-25 US disclosed
US-8846666-B2 Oxathiazine derivatives which are substituted with benzyl or heteromethylene groups, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-09-30 US disclosed
US-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-03-06 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-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SLC5A2, SLC5A1, CYP11B2 ALDH1A1 693/4885MAPT 4036/4885HTT 2979/4885

“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.