SCHEMBL2111510

SCHEMBL2111510

CS(=O)(=O)c1ccc(-c2cc(Cl)ccc2O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
PTGS2 P35354 4/20 0.48
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
LMNA P02545 1/20 0.44
KDM1A O60341 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
RORC P51449 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL2110294 0.85 PTGDR2 (0.62) PTGDR2RORCCA12CA1CA2
SCHEMBL2111861 0.81 PTGDR2 (0.63) PTGDR2PTGS2LMNACA12CA1
SCHEMBL1577287 0.79 LMNA (0.55) PTGS2LMNATSHRHSD17B10CA12
SCHEMBL5417746 0.76 PTGDR2 (0.62) PTGDR2PTGS2AVPR2GPR27LMNA
SCHEMBL3957303 0.75 S100A4 (0.67) PTGDR2PTGS2AVPR2GPR27LMNA
SCHEMBL1331564 0.75 PTGS2 (0.52) PTGDR2PTGS2CYP11B1CYP11B2LMNA
SCHEMBL1332199 0.75 MEN1 (0.57) PTGDR2PTGS2AVPR2GPR27LMNA
SCHEMBL5394112 0.74 FSCN1 (0.41) PTGDR2PTGS2AVPR2GPR27LMNA
SCHEMBL5426680 0.74 KMT2A (0.40) PTGDR2PTGS2CYP11B1CYP11B2LMNA
SCHEMBL1753451 0.74 PTGDR2 (0.66) PTGDR2CYP11B1CYP11B2RORCTSHR

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
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 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 (2 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885PTGS2 1070/4885AVPR2 360/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885PTGS2 1070/4885AVPR2 360/4885

“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.