SCHEMBL7645581

SCHEMBL7645581

[CH2]N(c1ccccc1)S(=O)(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR1 P03372 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR3C2 P08235 1/20 0.40
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL4204976 0.77 PKM (0.47) PSIP1CA12CA2CA9HSP90AA1
SCHEMBL4980683 0.77 NR3C2 (0.41) CA12CA2CA9HSP90AA1ESR1
SCHEMBL13762630 0.76 CA12 (0.50) PSIP1CA12CA2CA9HSP90AA1
SCHEMBL17333643 0.74 ESR1 (0.56) ESR1TSHRALDH1A1GLATDP1
SCHEMBL28347318 0.74 PSIP1 (0.41) PSIP1CA12CA2CA9HSP90AA1
SCHEMBL9453750 0.73 TSHR (0.42) CA12CA2CA9HSP90AA1ESR1
SCHEMBL7724496 0.72 TSHR (0.44) PSIP1CA12CA2CA9HSP90AA1
SCHEMBL17333403 0.72 ESR1 (0.60) ESR1TSHRTDP1TP53KMT2A
SCHEMBL5281575 0.71 APOBEC3G (0.52) CA12CA2CA9ESR1TSHR
SCHEMBL5012326 0.71 ESR1 (0.41) PSIP1CA12CA2CA9HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010202-A1 Combinations of prostaglandins and brimonidine or derivatives thereof ALLERGAN SALES, INC. 2002-01-24 US claimed
US-6294563-B1 PROTECTION OF NERVES AND TREATING GLAUCOMA OR OCULAR HYPERTENSION ALLERGAN SALES, INC. 2001-09-25 US claimed
WO-1996013267-A2 COMBINATIONS OF PROSTAGLANDINS AND BRIMONIDINE OR DERIVATIVES THEREOF FOR THE TREATMENT OF GLAUCOMA ALLERGAN (US) 1996-05-09 WO claimed
US-20020010202-A1 Combinations of prostaglandins and brimonidine or derivatives thereof ALLERGAN SALES, INC. 2002-01-24 US disclosed
US-6294563-B1 PROTECTION OF NERVES AND TREATING GLAUCOMA OR OCULAR HYPERTENSION ALLERGAN SALES, INC. 2001-09-25 US disclosed
WO-1996013267-A2 COMBINATIONS OF PROSTAGLANDINS AND BRIMONIDINE OR DERIVATIVES THEREOF FOR THE TREATMENT OF GLAUCOMA ALLERGAN (US) 1996-05-09 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-20020010202-A1 Combinations of prostaglandins and brimonidine or derivatives thereof PTGER1, ADRB2, PTGS1 PSIP1 1920/4885CA12 3114/4885CA2 369/4885

“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.