SCHEMBL2774604

SCHEMBL2774604

O=S1(=O)N=CN(C2CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
THRB P10828 1/20 0.34
EPAS1 Q99814 1/20 0.33
OPRL1 P41146 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 3/20 0.31
USP30 Q70CQ3 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
SCHEMBL2777802 0.78 GRIA2 (0.42) GRIA2CA1CA2
SCHEMBL2777706 0.78 GRIA1 (0.31) GRIA2CA1CA2
SCHEMBL2773458 0.78 CA12 (0.32) GRIA2ALDH1A1CA12CA1CA2
SCHEMBL2777517 0.78 GRIA2 (0.48) GRIA2ALDH1A1LMNACA12CA2
SCHEMBL2776609 0.78 CHRNA1 (0.33) GRIA2NPSR1CA1CA2
SCHEMBL2774471 0.78 GRIA1 (0.42) GRIA2NPSR1CA12CA1CA2
SCHEMBL2775935 0.78 GRIA2 (0.48) GRIA2NPSR1CA1CA2
SCHEMBL2778463 0.78 GRIA2 (0.42) GRIA2NPSR1KDM4EALDH1A1TP53
SCHEMBL2776012 0.78 ATM (0.34) GRIA2NPSR1CA1CA2
SCHEMBL2777528 0.75 NOTUM (0.35) GRIA2OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 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-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 GRIA2 116/4885NPSR1 72/4885KDM4E 1941/4885

“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.