SCHEMBL1579999

SCHEMBL1579999

CCCCc1cc(CNC)cn1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.43
METAP2 P50579 1/20 0.38
AGTR1 P30556 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PLK1 P53350 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL1156811 0.99 HTR6 (0.42) HTR6METAP2AGTR1MAPTTP53
SCHEMBL1156184 0.78 HTR6 (0.47) HTR6MAPTSMN1; SMN2DRD2DRD3
SCHEMBL1156422 0.77 HTR6 (0.38) HTR6METAP2AGTR1SMN1; SMN2DRD2
SCHEMBL1580766 0.76 HTR6 (0.43) HTR6MAPTDRD2DRD3PLK1
Hydrochloric Acid SCHEMBL1156349 0.75 HTR6 (0.42) HTR6MAPTDRD2DRD3PLK1
SCHEMBL1580453 0.73 HTR6 (0.41) HTR6MAPTSMN1; SMN2DRD2DRD3
Hydrochloric Acid SCHEMBL1156630 0.72 HTR6 (0.41) HTR6MAPTSMN1; SMN2DRD2DRD3
SCHEMBL1156310 0.72 SMN1; SMN2 (0.43) AGTR1MAPTTP53SMN1; SMN2PPARG
SCHEMBL28642111 0.72 HTR6 (0.39) HTR6MAPTDRD2DRD3PLK1
SCHEMBL1581182 0.72 PKM (0.40) HTR6MAPTTP53KDM4E

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
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 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 (2 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885METAP2 2009/4885AGTR1 3733/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885METAP2 2009/4885AGTR1 3733/4885

“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.