SCHEMBL1106916

SCHEMBL1106916

CC(C)Oc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.67
PTGDR2 Q9Y5Y4 6/20 0.57
PTGDR Q13258 8/20 0.54
HSD11B1 P28845 1/20 0.54
PKM P14618 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50

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
SCHEMBL841106 0.92 DHCR7 (0.60) DHCR7PTGDR2PTGDR
SCHEMBL12209246 0.83 HTT (0.66) DHCR7PKMNPC1PKLRRAB9A
SCHEMBL16788114 0.82 HTT (0.69) DHCR7PKMSMN1; SMN2NPC1PKLR
SCHEMBL16080246 0.82 DHCR7 (0.73) DHCR7PTGDR2PTGDRSMN1; SMN2MCOLN3
SCHEMBL10175759 0.82 DHCR7 (0.73) DHCR7PTGDR2PTGDRSMN1; SMN2MCOLN3
SCHEMBL19457374 0.81 MCOLN3 (0.75) HSD11B1PKMMCOLN3
SCHEMBL27652326 0.80 DHCR7 (0.60) DHCR7PTGDR2PTGDRPKMMAPT
SCHEMBL29483645 0.79 LMNA (0.69) DHCR7SMN1; SMN2
SCHEMBL19348522 0.79 DHCR7 (0.59) DHCR7PTGDR2PTGDRPKMNPC1
SCHEMBL1096258 0.79 DHCR7 (0.59) DHCR7PTGDR2PTGDRPKMMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-2407459-A1 Synthetic intermediate in the production of a sulfonamide derivative having PGD2 receptor antagonistic activity Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 DHCR7 2162/4885PTGDR2 2/4885PTGDR 1/4885

“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.