SCHEMBL17837153

SCHEMBL17837153

C[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1[S+]2[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
IMPDH2 P12268 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
DRD3 P35462 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL17837155 1.00 DRD2 (0.51) DRD2THRBMAPTIMPDH2POLB
SCHEMBL16438258 1.00 DRD2 (0.51) DRD2THRBMAPTIMPDH2POLB
SCHEMBL16432960 1.00 DRD2 (0.51) DRD2THRBMAPTIMPDH2POLB
SCHEMBL17837257 0.92 THRB (0.50) DRD2THRBMAPTPOLBDRD3
SCHEMBL17837255 0.92 THRB (0.50) DRD2THRBMAPTPOLBDRD3
SCHEMBL17837230 0.92 THRB (0.50) DRD2THRBMAPTPOLBDRD3
SCHEMBL16438255 0.92 THRB (0.50) DRD2THRBMAPTPOLBDRD3
SCHEMBL17837138 0.87 DRD2 (0.66) DRD2THRBMAPTPOLBALDH1A1
SCHEMBL17837148 0.86 DRD2 (0.39) DRD2THRBMAPTPOLBALDH1A1
SCHEMBL17837188 0.83 DRD2 (0.60) DRD2MAPTPOLBLMNATP53

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 10 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-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-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
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
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 DRD2 1/4885THRB 9/4885MAPT 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.