SCHEMBL348294

SCHEMBL348294

COC(=O)Cc1cc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2CSCC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TBXA2R P21731 3/20 0.39
ALDH1A1 P00352 9/20 0.38
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
EPAS1 Q99814 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
SCHEMBL350545 0.87 TBXA2R (0.42) KMT2AMEN1TBXA2RALDH1A1MAPT
SCHEMBL348080 0.85 LMNA (0.35) ALDH1A1MAPTLMNAGAAEPAS1
SCHEMBL2278130 0.85 MEN1 (0.41) KMT2AMEN1TBXA2RALDH1A1MAPT
SCHEMBL349253 0.84 MEN1 (0.44) KMT2AMEN1TBXA2RALDH1A1NPSR1
SCHEMBL350090 0.83 MEN1 (0.44) KMT2AMEN1TBXA2RALDH1A1NPSR1
SCHEMBL13521862 0.83 MEN1 (0.44) KMT2AMEN1TBXA2RALDH1A1NPSR1
SCHEMBL349399 0.82 ALDH1A1 (0.42) KMT2AMEN1TBXA2RALDH1A1MAPT
SCHEMBL347665 0.82 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL348674 0.82 CYP3A4 (0.45) KMT2AMEN1MAPTLMNAHTT
SCHEMBL350170 0.81 LMNA (0.37) KMT2AMEN1TBXA2RALDH1A1MAPT

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 KMT2A 4646/4885MEN1 4751/4885TBXA2R 6/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KMT2A 4646/4885MEN1 4751/4885TBXA2R 6/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 KMT2A 4646/4885MEN1 4751/4885TBXA2R 6/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 KMT2A 4618/4885MEN1 4760/4885TBXA2R 9/4885

“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.