SCHEMBL1106926

SCHEMBL1106926

CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.59
F13A1 P00488 7/20 0.59
TGM1 P22735 4/20 0.59
PKM P14618 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGDR Q13258 6/20 0.52
DHCR7 Q9UBM7 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
SCHEMBL22032771 0.89 TGM2 (0.60) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL18153290 0.86 PKM (0.66) TGM2F13A1TGM1PKM
SCHEMBL18410584 0.83 TGM2 (0.65) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL1828117 0.83 TGM2 (0.61) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL1684972 0.82 TGM2 (0.69) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL5253160 0.82 POLB (0.70) TGM2F13A1TGM1
SCHEMBL3910274 0.82 TGM2 (0.64) TGM2F13A1TGM1PKMSMN1; SMN2
SCHEMBL710366 0.82 TGM2 (0.64) TGM2F13A1TGM1PKM
SCHEMBL1181084 0.82 PKM (0.73) TGM2F13A1TGM1PKM
SCHEMBL29060791 0.82 TGM2 (0.64) TGM2F13A1TGM1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939175-B1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2017-03-01 EP 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-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 TGM2 2142/4885F13A1 3102/4885TGM1 2781/4885

“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.