SCHEMBL3689795

SCHEMBL3689795

CCOC(=O)c1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
CA9 Q16790 1/20 0.43
MAPT P10636 6/20 0.42
ELANE P08246 1/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL3692589 0.90 NPSR1 (0.45) TP53POLBCA9MAPTELANE
SCHEMBL3694089 0.86 NFE2L2 (0.41) TP53POLBCA9MAPTELANE
SCHEMBL3701494 0.85 SLC16A3 (0.40) MAPTSLC16A3SLC16A1ALDH1A1KMT2A
SCHEMBL3694226 0.79 TSHR (0.48) SLC16A3SLC16A1ALDH1A1KMT2AMEN1
SCHEMBL3698618 0.79 TP53 (0.52) TP53POLBCA9MAPTALDH1A1
Hydrochloric Acid SCHEMBL3701972 0.77 SLC16A3 (0.42) CA9SLC16A3SLC16A1ALDH1A1MAPK1
SCHEMBL3691317 0.77 TUBB4A (0.48) TP53POLBMAPTELANESLC16A3
SCHEMBL476502 0.76 TP53 (0.45) TP53POLBCA9ALDH1A1KMT2A
SCHEMBL3691249 0.75 CA9 (0.46) TP53POLBCA9MAPTALDH1A1
SCHEMBL3707095 0.75 CA9 (0.46) TP53POLBCA9MAPTALDH1A1

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 TP53 4668/4885POLB 4579/4885CA9 662/4885

“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.