SCHEMBL347221

SCHEMBL347221

CCOC(=O)Cc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2CSc2nnc(C)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.54
ALDH1A1 P00352 7/20 0.49
HTT P42858 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 7/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
G6PD P11413 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL349881 0.86 ALDH1A1 (0.52) LCKALDH1A1HTTHPGDLMNA
SCHEMBL349666 0.84 PPARG (0.49) LCKALDH1A1HTTHPGDLMNA
SCHEMBL347672 0.83 CYP3A4 (0.53) ALDH1A1HTTHPGDLMNAPOLB
SCHEMBL349117 0.82 KMT2A (0.46) LCKALDH1A1HTTHPGDLMNA
SCHEMBL350012 0.82 HTT (0.44) ALDH1A1HTTHPGDLMNAPOLB
SCHEMBL348004 0.81 TTR (0.53) ALDH1A1HTTLMNAPOLBMAPT
SCHEMBL13521899 0.81 HTT (0.47) ALDH1A1HTTLMNAPOLBMAPT
SCHEMBL347720 0.81 HTT (0.47) ALDH1A1HTTLMNAPOLBMAPT
SCHEMBL349501 0.80 ALDH1A1 (0.52) ALDH1A1HTTHPGDLMNAMAPT
SCHEMBL349154 0.80 ALDH1A1 (0.42) ALDH1A1HTTHPGDLMNAMAPT

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 LCK 4320/4885ALDH1A1 2185/4885HTT 4336/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 LCK 4320/4885ALDH1A1 2185/4885HTT 4336/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LCK 4320/4885ALDH1A1 2185/4885HTT 4336/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 LCK 4329/4885ALDH1A1 2155/4885HTT 4522/4885

“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.