SCHEMBL350545

SCHEMBL350545

COC(=O)Cc1cc(Cl)cc(Oc2ccc([N+](=O)[O-])cc2CSC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2278130 0.88 MEN1 (0.41) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL348294 0.87 KMT2A (0.39) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL349253 0.87 MEN1 (0.44) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL350090 0.86 MEN1 (0.44) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL13521862 0.86 MEN1 (0.44) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL349664 0.85 CYP3A4 (0.40) GAACYP3A4ALDH1A1LMNAMAPT
SCHEMBL349029 0.82 CYP3A4 (0.59) CYP3A4MAPT
SCHEMBL12515659 0.82 CYP3A4 (0.58) MEN1KMT2ACYP3A4HTTALDH1A1
SCHEMBL347147 0.81 MEN1 (0.44) TBXA2RMEN1KMT2AGAAPKM
SCHEMBL350216 0.75 CYP3A4 (0.42) TBXA2RMEN1KMT2ACYP3A4HTT

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 9 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
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US 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 TBXA2R 6/4885MEN1 4751/4885KMT2A 4646/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TBXA2R 6/4885MEN1 4751/4885KMT2A 4646/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 TBXA2R 6/4885MEN1 4751/4885KMT2A 4646/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 TBXA2R 9/4885MEN1 4760/4885KMT2A 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.