SCHEMBL1106918

SCHEMBL1106918

COC(=O)COc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
HTT P42858 3/20 0.55
PKM P14618 1/20 0.55
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
TNF P01375 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7363912 0.94 PTGS2 (0.57) KMT2AMEN1HTTPKMPTGS2
SCHEMBL20042055 0.88 ALDH1A1 (0.55) KMT2AMEN1HTTPKMALDH1A1
SCHEMBL6921762 0.87 PTGDR2 (0.63) KMT2AMEN1HTTPKMALDH1A1
SCHEMBL654525 0.86 PTGS2 (0.54) KMT2AMEN1HTTPKMPTGS2
SCHEMBL1549394 0.86 PTGS2 (0.54) KMT2AMEN1HTTPTGS2ALDH1A1
SCHEMBL6928011 0.86 KMT2A (0.53) KMT2AMEN1HTTPKMALDH1A1
SCHEMBL10504393 0.86 PTGS2 (0.54) KMT2AMEN1HTTPKMPTGS2
SCHEMBL7778630 0.84 MAPT (0.66) KMT2AMEN1HTTPKMPTGS2
SCHEMBL4858330 0.84 PTGS2 (0.53) KMT2AMEN1HTTPKMPTGS2
SCHEMBL5006944 0.84 PTGS2 (0.53) KMT2AMEN1HTTPKMPTGS2

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
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
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US 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-2407453-A1 PGD2 receptor antagonist 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 KMT2A 1638/4885MEN1 4845/4885HTT 4632/4885

“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.