SCHEMBL2802191

SCHEMBL2802191

O=C(O)c1ccc(OCc2ccccc2)c(OCCC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.55
RXRB P28702 3/20 0.55
RXRG P48443 3/20 0.55
MRGPRX4 Q96LA9 6/20 0.52
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
PTGER1 P34995 1/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL2803357 0.88 SMPD1 (0.54) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL29556736 0.86 MRGPRX4 (0.62) RXRARXRBRXRGMRGPRX4POLB
SCHEMBL1600077 0.86 MRGPRX4 (0.62) RXRARXRBRXRGMRGPRX4POLB
Hydrochloric Acid SCHEMBL10857748 0.85 MRGPRX4 (0.61) RXRARXRBRXRGMRGPRX4POLB
SCHEMBL7863787 0.83 MRGPRX4 (0.56) RXRARXRBMRGPRX4POLBCASP6
SCHEMBL3548452 0.83 RXRA (0.75) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL17835565 0.82 SMPD1 (0.61) RXRARXRBRXRGMRGPRX4POLB
SCHEMBL16372463 0.81 TSHR (0.64) MRGPRX4RAB9A
SCHEMBL3375128 0.81 CA12 (0.61) MRGPRX4POLBCASP6RAB9ASMPD1
SCHEMBL13434463 0.81 SMPD1 (0.60) RXRARXRBRXRGMRGPRX4POLB

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
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
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 RXRA 1047/4885RXRB 973/4885RXRG 1369/4885

“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.