SCHEMBL17837230

SCHEMBL17837230

CC(NC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1[S@@+]2[O-])c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
B3GNT2 Q9NY97 2/20 0.46
TP53 P04637 1/20 0.45
DRD2 P14416 5/20 0.44
DRD3 P35462 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
PPARG P37231 1/20 0.41
PDE2A O00408 1/20 0.40
PTGER4 P35408 1/20 0.39

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
SCHEMBL17837255 1.00 THRB (0.50) THRBPOLBMAPTB3GNT2TP53
SCHEMBL16438255 1.00 THRB (0.50) THRBPOLBMAPTB3GNT2TP53
SCHEMBL17837257 1.00 THRB (0.50) THRBPOLBMAPTB3GNT2TP53
SCHEMBL16432960 0.92 DRD2 (0.51) THRBPOLBMAPTTP53DRD2
SCHEMBL17837153 0.92 DRD2 (0.51) THRBPOLBMAPTTP53DRD2
SCHEMBL16438258 0.92 DRD2 (0.51) THRBPOLBMAPTTP53DRD2
SCHEMBL17837155 0.92 DRD2 (0.51) THRBPOLBMAPTTP53DRD2
SCHEMBL17837186 0.82 DRD2 (0.65) POLBB3GNT2DRD2DRD3
SCHEMBL16438263 0.82 DRD2 (0.65) POLBB3GNT2DRD2DRD3
SCHEMBL17837139 0.82 DRD2 (0.65) POLBB3GNT2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027612-B1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS US HEALTH (US) 2018-10-10 EP claimed
US-9550742-B2 11-OXO-10,11-dihydrodibenzo[B,F][1,4]thiazepine S-oxide derivatives and their use as dopamine D2 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-24 US claimed
US-20160176831-A1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-06-23 US claimed
EP-3027612-B1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS US HEALTH (US) 2018-10-10 EP disclosed
US-9550742-B2 11-OXO-10,11-dihydrodibenzo[B,F][1,4]thiazepine S-oxide derivatives and their use as dopamine D2 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-24 US disclosed
US-20160176831-A1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-06-23 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-20160176831-A1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS DRD2, TSHR, GRIN2B THRB 9/4885POLB 1603/4885MAPT 676/4885

“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.