SCHEMBL348214

SCHEMBL348214

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CSc2nnc(C)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 9/20 0.51
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 5/20 0.48
TP53 P04637 1/20 0.48
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL350118 0.92 ALDH1A1 (0.53) ALDH1A1HPGDMAPTRAB9APOLB
SCHEMBL349218 0.88 CYP3A4 (0.46) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL348266 0.86 MAPT (0.47) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL350502 0.84 PTGDR2 (0.46) ALDH1A1HPGDMAPTRAB9APOLB
SCHEMBL348830 0.84 CYP3A4 (0.60) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL13521963 0.83 PTGDR2 (0.48) ALDH1A1HPGDMAPTRAB9APOLB
SCHEMBL347736 0.82 CYP3A4 (0.46) ALDH1A1HPGDMAPTRAB9APOLB
SCHEMBL348213 0.82 LMNA (0.44) ALDH1A1HPGDMAPTRAB9APOLB
SCHEMBL349881 0.82 ALDH1A1 (0.52) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL347633 0.82 CYP3A4 (0.46) ALDH1A1HPGDMAPTPOLBSMN1; 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 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-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003120-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 2185/4885HPGD 23/4885MAPT 4847/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885HPGD 23/4885MAPT 4847/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2185/4885HPGD 23/4885MAPT 4847/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885HPGD 25/4885MAPT 4843/4885

“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.