SCHEMBL1944730

SCHEMBL1944730

CCN(Cc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)OC)c1)S(=O)(=O)c1ccc(Nc2cccc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
PAX8 Q06710 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
RORC P51449 2/20 0.38
TP53 P04637 1/20 0.38
SYK P43405 1/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1011318 0.93 PTGDR2 (0.46) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1943761 0.91 PTGDR2 (0.46) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1009651 0.88 KCNQ3 (0.46) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL1944279 0.88 BMP1 (0.47) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1066105 0.88 PTGDR2 (0.39) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1943683 0.87 MAPT (0.44) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL13580775 0.87 MAPT (0.42) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL1943334 0.86 PTGDR2 (0.44) MAPTHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1943677 0.85 KCNQ3 (0.41) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL1011237 0.83 MAPT (0.43) MAPTHTTNPSR1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAPT 4856/4885HTT 4339/4885NPSR1 282/4885

“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.