SCHEMBL4119622

SCHEMBL4119622

Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)O)nn2-c2cccc(Cl)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
NOTUM Q6P988 1/20 0.35
MDM2 Q00987 2/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN2B Q13224 5/20 0.33
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
NAMPT P43490 1/20 0.31
CCR9 P51686 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4126504 0.92 ALDH1A1 (0.39) RIPK1NOTUMMDM2ALDH1A1LMNA
SCHEMBL3700227 0.91 NAMPT (0.32) GRIN2BRXRAGRIN1NAMPT
SCHEMBL4135632 0.91 PTGS2 (0.32) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4135860 0.91 SLC16A3 (0.37) ALDH1A1GAANAMPTTRPM8MEN1
SCHEMBL3699795 0.90 P2RX7 (0.34) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4123658 0.89 TAS2R14 (0.35) RIPK1NOTUMMDM2KDM4EHTT
SCHEMBL3688570 0.89 HTR2C (0.38) RIPK1ALDH1A1LMNAKDM4EGAA
SCHEMBL4125819 0.89 PTGS2 (0.33) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL3688572 0.88 RIPK1 (0.34) RIPK1NOTUMMDM2GRIN2BRXRA
SCHEMBL4130428 0.88 SLC16A3 (0.34) RIPK1GAANPSR1NAMPT

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 2 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
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 RIPK1 4203/4885NOTUM 255/4885MDM2 4783/4885

“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.