SCHEMBL350170

SCHEMBL350170

CCOC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])cc2CSCC(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CETP P11597 1/20 0.37
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.35
TBXA2R P21731 2/20 0.35
THRB P10828 1/20 0.34
UBE2N P61088 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL349730 0.88 CETP (0.40) LMNAHTTKMT2AMEN1CETP
SCHEMBL349231 0.88 LMNA (0.40) LMNAHTTKMT2AMEN1CETP
SCHEMBL1570668 0.87 CETP (0.41) LMNAHTTKMT2AMEN1CETP
SCHEMBL2275883 0.86 MAPK1 (0.35) LMNACETPALDH1A1MAPTHPGD
SCHEMBL349154 0.83 ALDH1A1 (0.42) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL349633 0.82 LMNA (0.39) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL348738 0.82 CYP3A4 (0.42) LMNAHTTALDH1A1MAPTPOLB
SCHEMBL348421 0.81 LMNA (0.40) LMNAHTTKMT2AMEN1CETP
SCHEMBL348294 0.81 KMT2A (0.39) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL349399 0.76 ALDH1A1 (0.42) LMNAHTTKMT2AMEN1ALDH1A1

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 11 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-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 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2277/4885HTT 4336/4885KMT2A 4646/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LMNA 2161/4885HTT 4522/4885KMT2A 4618/4885

“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.