SCHEMBL12525627

SCHEMBL12525627

COc1ccc(CNS(=O)(=O)CCc2cccc3ccccc23)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.47
▸ APLNR P35414 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MTNR1B P49286 3/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NQO2 P16083 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTR2A P28223 2/20 0.45

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
SCHEMBL12492811 0.82 ALDH1A1 (0.53) APLNRTP53KDM4EALDH1A1MEN1
SCHEMBL15511443 0.80 HTR2A (0.47) MTNR1AMTNR1BHTR2CHTR2BKDM4E
SCHEMBL28970344 0.78 APLNR (0.58) APLNRTP53HTR2CKDM4EALDH1A1
SCHEMBL12492637 0.78 HTR2A (0.46) APLNRTP53HTR2CKDM4EALDH1A1
SCHEMBL28452492 0.76 APLNR (0.63) MTNR1AAPLNRTP53HTR2CALDH1A1
SCHEMBL12492806 0.76 APLNR (0.52) APLNRTP53KDM4EALDH1A1MEN1
SCHEMBL12494016 0.76 ALDH1A1 (0.62) APLNRTP53KDM4EALDH1A1MEN1
SCHEMBL12493456 0.76 MMP8 (0.50) APLNRTP53HTR2CMEN1KMT2A
SCHEMBL12525710 0.76 APLNR (0.49) APLNRTP53HTR2CALDH1A1MEN1
SCHEMBL12492810 0.75 ALDH1A1 (0.54) APLNRTP53KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683701-B1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR THEIR PREPARATION, THEIR USAGE AS MEDICAMENT, MEDICAMENT CONTAINING SAME AND ITS USE SANOFI SA (FR) 2014-12-24 — — EP disclosed
EP-2683701-B1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR THEIR PREPARATION, THEIR USAGE AS MEDICAMENT, MEDICAMENT CONTAINING SAME AND ITS USE SANOFI SA (FR) 2014-12-24 — — EP 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-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
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
WO-2012120058-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) 2012-09-13 — — WO 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 MTNR1A 2005/4885APLNR 3856/4885TP53 4218/4885

“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.

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