SCHEMBL1096258

SCHEMBL1096258

CC(C)Oc1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 1/20 0.55
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
PKLR P30613 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
HTT P42858 1/20 0.49
PTGDR Q13258 7/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL12209246 0.86 HTT (0.66) DHCR7ALDH1A1PKMNPC1PKLR
SCHEMBL17100765 0.85 MAPT (0.58) MAPTALDH1A1PKMNPC1PKLR
SCHEMBL16788114 0.84 HTT (0.69) DHCR7ALDH1A1PKMNPC1PKLR
SCHEMBL1352340 0.83 PKM (0.77) MAPTALDH1A1PKMNPC1PKLR
SCHEMBL19348522 0.82 DHCR7 (0.59) DHCR7PKMNPC1PKLRRAB9A
SCHEMBL29483645 0.82 LMNA (0.69) DHCR7ALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL3245890 0.81 PKM (0.75) MAPTALDH1A1PKMNPC1PKLR
SCHEMBL9976064 0.80 MAPT (0.68) MAPTALDH1A1PKMKMT2A
SCHEMBL1106916 0.79 DHCR7 (0.67) DHCR7MAPTPKMNPC1PKLR
SCHEMBL16026448 0.79 GAA (0.73) MAPTALDH1A1PKML3MBTL1KMT2A

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 21 patents — showing the first 20. 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-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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
CN-103265501-B Method for producing N-phenyl-N'-phenylsulfonylpiperazine derivative SHIONOGI & CO 2015-06-03 CN disclosed
US-20150057447-A1 METHOD OF PRODUCING N-PHENYL-N'-PHENYLSULFONYL PIPERAZINE DERIVATIVE AND INTERMEDIATE THEREOF SHIONOGI & CO., LTD. (JP) 2015-02-26 US disclosed
US-20150057447-A1 METHOD OF PRODUCING N-PHENYL-N'-PHENYLSULFONYL PIPERAZINE DERIVATIVE AND INTERMEDIATE THEREOF SHIONOGI & CO., LTD. (JP) 2015-02-26 US disclosed
EP-2832729-A1 N-PHENYL-N'-PHENYLSULFONYLPIPERAZINE DERIVATIVE AND METHOD FOR PRODUCING INTERMEDIATE FOR SAME Shionogi & Co., Ltd. (JP) 2015-02-04 EP disclosed
CN-104321314-A N-phenyl-n'-phenylsulfonylpiperazine derivative and method for producing intermediate for same SHIONOGI & CO 2015-01-28 CN disclosed
CN-103265501-A Method for producing N-phenyl-N'-phenylsulfonylpiperazine derivative SHIONOGI & CO 2013-08-28 CN 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
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
CN-101679267-A Process for producing N-phenyl-N' -benzenesulfonylpiperazine derivative SHIONOGI & CO 2010-03-24 CN 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 (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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 DHCR7 2162/4885MAPT 4835/4885ALDH1A1 1440/4885
US-20150057447-A1 METHOD OF PRODUCING N-PHENYL-N'-PHENYLSULFONYL PIPERAZINE DERIVATIVE AND INTERMEDIATE THEREOF REN, JAK2, XDH DHCR7 1049/4885MAPT 3843/4885ALDH1A1 874/4885

“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.