SCHEMBL3700747

SCHEMBL3700747

CNC(=O)c1cc(S(=O)(=O)c2cccc(OC)c2)n(-c2ccccc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
KAT6A Q92794 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 2/20 0.42
CTSA P10619 2/20 0.42
MME P08473 1/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
NFE2L2 Q16236 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL3701494 0.89 SLC16A3 (0.40) LMNAKAT6ACYP3A4CTSAMME
SCHEMBL3694226 0.89 TSHR (0.48) TSHRLMNAKAT6AMAPK1CYP3A4
SCHEMBL3695120 0.88 CTSA (0.42) CYP3A4CTSAMMEPTGS2MEN1
SCHEMBL3692589 0.85 NPSR1 (0.45) TSHRLMNAKAT6AMAPK1CYP3A4
SCHEMBL16333146 0.81 TSHR (0.47) TSHRLMNAKAT6AMAPK1SLC16A3
Fumaric Acid SCHEMBL3699979 0.79 SLC16A3 (0.44) TSHRLMNAKAT6AMAPK1CYP3A4
Fumaric Acid SCHEMBL3699982 0.79 SLC16A3 (0.44) TSHRLMNAKAT6AMAPK1CYP3A4
SCHEMBL3695931 0.79 MALT1 (0.41) LMNAKAT6AMEN1KMT2AHPGD
SCHEMBL3699981 0.76 KAT6A (0.41) TSHRLMNAKAT6AMAPK1CYP3A4
SCHEMBL3689795 0.74 TP53 (0.45) MAPK1SLC16A3SLC16A1ALDH1A1MEN1

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 TSHR 1878/4885LMNA 4283/4885KAT6A 4058/4885

“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.