SCHEMBL2801658

SCHEMBL2801658

COC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
MRGPRX4 Q96LA9 1/20 0.60
CTSK P43235 1/20 0.57
HPGD P15428 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMPD1 P17405 1/20 0.54
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54

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
SCHEMBL14220798 0.92 MAPT (0.72) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2804156 0.87 MRGPRX4 (0.78) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2063068 0.87 SMN1; SMN2 (0.73) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL17129585 0.85 MAPT (0.67) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2814873 0.85 SMN1; SMN2 (0.67) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13413496 0.84 MAPT (0.66) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13448171 0.84 MAPT (0.65) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13413479 0.84 MAPT (0.58) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
Bicarbonate SCHEMBL5499350 0.84 SMN1; SMN2 (0.68) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
Bicarbonate SCHEMBL5499351 0.84 SMN1; SMN2 (0.68) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9

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 MAPT 1012/4885SMN1; SMN2 2229/4885CYP1A2 25/4885

“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.