SCHEMBL1106922

SCHEMBL1106922

COC(=O)COc1cc(N)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HMGCR P04035 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
APP P05067 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
TNF P01375 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
HDAC3 O15379 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
HDAC4 P56524 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL12144018 0.94 GAA (0.58) MAPTALDH1A1HMGCRGAAKDM4E
Hydrochloric Acid SCHEMBL8474144 0.92 ALDH1A1 (0.51) MAPTALDH1A1HMGCRGAAKDM4E
SCHEMBL656861 0.87 SNCA (0.54) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL2839402 0.86 ALDH1A1 (0.58) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL13244214 0.85 POLB (0.62) MAPTALDH1A1GAAKDM4EAPP
SCHEMBL6016666 0.84 ALDH1A1 (0.58) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL16788118 0.84 GAA (0.51) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL959829 0.84 HTT (0.52) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL27613064 0.84 GAA (0.50) MAPTALDH1A1HMGCRGAAKDM4E
SCHEMBL13214929 0.83 MAPT (0.56) MAPTALDH1A1GAAKDM4EMAPK1

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-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 MAPT 4835/4885ALDH1A1 1440/4885HMGCR 4693/4885

“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.