SCHEMBL3575520

SCHEMBL3575520

COc1ccc2c(c1)CN(C)N(C)S2(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RYR2 Q92736 4/20 0.51
▸ DRD1 P21728 6/20 0.44
▸ DRD5 P21918 5/20 0.44
▸ DRD2 P14416 4/20 0.44
▸ DRD3 P35462 4/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38

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
SCHEMBL3581148 0.82 RYR2 (0.44) RYR2DRD1DRD5DRD2DRD3
SCHEMBL3587517 0.74 RYR2 (0.47) RYR2DRD1DRD5DRD2DRD3
SCHEMBL3902560 0.69 DRD1 (0.65) RYR2DRD1DRD5DRD2DRD3
SCHEMBL6867681 0.68 RYR2 (1.00) RYR2NOTUM
SCHEMBL3586567 0.68 RYR2 (0.47) RYR2DRD1DRD5DRD2DRD3
SCHEMBL26767768 0.67 DRD1 (0.54) RYR2DRD1DRD5DRD2DRD3
SCHEMBL29853433 0.67 DRD1 (0.54) RYR2DRD1DRD5DRD2DRD3
SCHEMBL12894412 0.67 RYR2 (0.84) RYR2CA2NOTUM
SCHEMBL19865381 0.67 RYR2 (0.56) RYR2DRD1DRD5DRD2DRD3
SCHEMBL30422601 0.66 GRIA2 (0.47) RYR2DRD1DRD5DRD2DRD3

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-20100190778-A1 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENTARSASAG (HU) 2010-07-29 — — US disclosed
EP-2064197-A2 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE Egis Gyogyszergyar Nyilvánosan Múködó Részvénytársaság (HU) 2009-06-03 — — EP disclosed
WO-2008020256-A2 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE EGIS GYÓGYSZERGYÁR_Nyilvánosan Müködö Részvénytársaság (HU) 2008-02-21 — — 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-20100190778-A1 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE TDO2, DHODH, DHPS RYR2 774/4885DRD1 103/4885DRD5 166/4885

“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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