SCHEMBL425309

SCHEMBL425309

CCOC(=O)c1ccc([N+](=O)[O-])cc1CSC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CACNA1C Q13936 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.42
CACNA1F O60840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
AR P10275 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL424727 0.87 ALDH1A1 (0.46) SMN1; SMN2ADRB2ADRB1ADRB3KMT2A
SCHEMBL6211402 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL429791 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL15835742 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL431555 0.81 LMNA (0.45) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL7723906 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL426382 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL5925545 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL6750268 0.77 SMN1; SMN2 (0.65) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL7665374 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SMN1; SMN2 4659/4885ADRB2 27/4885ADRB1 85/4885

“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.