SCHEMBL2802065

SCHEMBL2802065

COC(=O)c1ccc(C#Cc2ccc(C)cc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN11 Q06124 1/20 0.45
KMT2A Q03164 1/20 0.45
ACACB O00763 3/20 0.45
CNR2 P34972 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
CYP2C9 P11712 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL17672675 0.89 CA12 (0.51) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5206647 0.88 HSD17B2 (0.57) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL2803072 0.87 CA12 (0.53) MAPTALDH1A1LMNAMAPK1ACACB
SCHEMBL20487495 0.83 TDP1 (0.51) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL16140276 0.82 TDP1 (0.77) TDP1MAPTALDH1A1HPGDPTPN11
SCHEMBL31442895 0.80 ACHE (0.50) ALDH1A1ACACB
SCHEMBL13139896 0.77 TDP1 (0.69) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL13139895 0.77 TDP1 (0.69) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL16545001 0.77 MAPT (0.51) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL28034740 0.77 AAK1 (0.45) ALDH1A1ACACB

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 4 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

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 TDP1 1683/4885MAPT 1012/4885ALDH1A1 119/4885

“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.