SCHEMBL3704996

SCHEMBL3704996

CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
RXRA P19793 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NAMPT P43490 7/20 0.33
MDM2 Q00987 2/20 0.32
MDM4 O15151 1/20 0.32
HTR6 P50406 2/20 0.32
NOTUM Q6P988 1/20 0.31
P2RX7 Q99572 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
SCHEMBL3701222 0.90 NAMPT (0.34) RXRASLC6A4NAMPTHTR6
SCHEMBL3695531 0.90 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3NAMPTHTR6
SCHEMBL3689689 0.88 MDM4 (0.34) RIPK1GRIN1GRIN2BNAMPTMDM2
SCHEMBL4119630 0.85 RIPK1 (0.38) RIPK1RXRAGRIN1GRIN2BNAMPT
Fumaric Acid SCHEMBL4126452 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL3813537 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL4123358 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL4126459 0.84 NAMPT (0.35) NAMPT
Fumaric Acid SCHEMBL4131328 0.84 NAMPT (0.35) SLC6A2SLC6A4SLC6A3NAMPT
Fumaric Acid SCHEMBL4131318 0.84 NAMPT (0.35) SLC6A2SLC6A4SLC6A3NAMPT

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 RIPK1 4203/4885RXRA 2919/4885GRIN1 3185/4885

“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.