SCHEMBL4131220

SCHEMBL4131220

COc1ncccc1-n1nc(CN(C)C(=O)O)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.35
SLC16A3 O15427 4/20 0.35
SLC16A1 P53985 4/20 0.35
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
NAMPT P43490 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR6 P50406 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
SCHEMBL3697758 0.89 HTR2C (0.43) SLC16A3SLC16A1NR1I2PTGDR2
SCHEMBL4126123 0.87 NAMPT (0.35) SLC16A3SLC16A1ALDH1A1NAMPTKMT2A
SCHEMBL3697762 0.86 KDM4E (0.33) SMOSLC16A3SLC16A1P2RX7ALDH1A1
SCHEMBL4135832 0.86 SLC16A3 (0.36) SLC16A3SLC16A1ALDH1A1NAMPTGAA
SCHEMBL3697997 0.86 HTR2C (0.41) SLC16A3SLC16A1P2RX7NR1I2
SCHEMBL4137765 0.84 NAMPT (0.33) SLC16A3SLC16A1P2RX7ALDH1A1KDM4E
SCHEMBL3697999 0.83 P2RX7 (0.33) SLC16A3SLC16A1P2RX7ALDH1A1KDM4E
SCHEMBL4125764 0.83 NFE2L2 (0.40) SLC16A3SLC16A1NAMPT
SCHEMBL4131224 0.82 P2RX7 (0.38) SMOP2RX7ALDH1A1KDM4ENAMPT
SCHEMBL476388 0.82 PKM (0.38) KDM4EKMT2APTGDR2HTR6

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 SMO 2187/4885SLC16A3 2809/4885SLC16A1 2925/4885

“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.