SCHEMBL3689689

SCHEMBL3689689

CNCc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
HTT P42858 2/20 0.34
RIPK1 Q13546 1/20 0.34
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 2/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CNR1 P21554 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTR6 P50406 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL3697765 0.90 NAMPT (0.36) KMT2ANAMPTMAPTEPHX2PRMT6
SCHEMBL3695836 0.90 CNR1 (0.36) NAMPTMAPTCNR1HTR6
SCHEMBL3704996 0.88 RIPK1 (0.35) MDM4MDM2RIPK1NAMPTP2RX7
SCHEMBL3693655 0.86 CYP3A4 (0.38) KMT2ANAMPTMAPTHTR6
Hydrochloric Acid SCHEMBL4117972 0.85 CYP3A4 (0.38) KMT2ANAMPTMAPTHTR6
Fumaric Acid SCHEMBL3705287 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL3705294 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL4137848 0.83 CNR1 (0.36) NAMPTCNR1DRD2DRD3
Fumaric Acid SCHEMBL4137854 0.83 CNR1 (0.36) NAMPTCNR1DRD2DRD3
SCHEMBL4123666 0.83 ALDH1A1 (0.38) MDM2HTTRIPK1KAT5KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MDM4 4580/4885MDM2 4783/4885HTT 3967/4885

“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.