SCHEMBL348885

SCHEMBL348885

COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Oc2ccc([N+](=O)[O-])cc2CSCC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TTR P02766 1/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL349165 0.88 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL349399 0.88 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL347665 0.88 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL13521932 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2CYP3A4
SCHEMBL347666 0.85 ALDH1A1 (0.38) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL349154 0.83 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL347205 0.82 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL348391 0.79 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2CYP3A4
SCHEMBL348294 0.79 KMT2A (0.39) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL349633 0.79 LMNA (0.39) ALDH1A1MAPTNPSR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885MAPT 4847/4885NPSR1 200/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885MAPT 4847/4885NPSR1 200/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885MAPT 4847/4885NPSR1 200/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885MAPT 4843/4885NPSR1 214/4885

“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.