SCHEMBL1106906

SCHEMBL1106906

CC(C)Oc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
MMP3 P08254 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
BMP1 P13497 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39

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
SCHEMBL3615482 0.82 BMP1 (0.55) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL12896231 0.76 LMNA (0.66) CNR2MMP3SMN1; SMN2LMNAHTT
SCHEMBL398044 0.76 CNR2 (0.57) CNR2SMN1; SMN2LMNAHTTRAB9A
SCHEMBL3626535 0.74 CA12 (0.50) CNR2SMN1; SMN2LMNAHTTRAB9A
SCHEMBL4076826 0.73 CA12 (0.57) CNR2SMN1; SMN2LMNAHTTRAB9A
SCHEMBL20314702 0.73 MMP3 (0.46) CNR2MMP3SMN1; SMN2LMNAHTT
SCHEMBL3619711 0.72 CNR2 (0.49) CNR2SMN1; SMN2LMNAHTTRAB9A
SCHEMBL344199 0.72 FFAR4 (0.50) CNR2MMP3SMN1; SMN2LMNAMMP2
SCHEMBL26212922 0.72 ALDH1A1 (0.51) MMP3SMN1; SMN2LMNAHTTRAB9A
SCHEMBL930312 0.72 PKM (0.58) CNR2MMP3SMN1; SMN2HTTMMP2

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 CNR2 3/4885MMP3 2762/4885SMN1; SMN2 3670/4885

“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.