SCHEMBL2803075

SCHEMBL2803075

COc1cc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1OCc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.55
SMPD1 P17405 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC2 Q92769 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2801647 0.83 PTGES (0.54) PTGESHDAC8MEN1KMT2AALDH1A1
SCHEMBL976887 0.80 PTGES (0.51) PTGESSMPD1HDAC1HDAC8HDAC6
SCHEMBL2803916 0.79 PTGES (0.51) PTGESSMPD1HDAC1HDAC8HDAC6
SCHEMBL978260 0.79 PTGES (0.64) PTGESSMPD1HDAC1HDAC8HDAC6
SCHEMBL13631125 0.79 PTGES (0.60) PTGESKDM4EMAPTALDH1A1NPC1
SCHEMBL2804931 0.78 PTGES (0.70) PTGESHDAC1HDAC8HDAC6RAB9A
SCHEMBL2803061 0.78 SMPD1 (0.47) PTGESSMPD1HDAC1HDAC8HDAC6
SCHEMBL13066213 0.76 PTGES (0.64) PTGESHDAC1HDAC8HDAC6KMT2A
SCHEMBL13066062 0.76 PTGES (0.61) PTGES
SCHEMBL978293 0.76 PTGES (0.49) PTGESSMPD1HDAC1HDAC8HDAC6

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
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO claimed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US claimed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 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-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 PTGES 9/4885SMPD1 971/4885HDAC1 2672/4885

“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.