SCHEMBL1998630

SCHEMBL1998630

CCOC(=O)COc1ccccc1C(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.67
USP2 O75604 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
PTPN1 P18031 1/20 0.49
S1PR4 O95977 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ITGA4 P13612 1/20 0.49
HPGD P15428 1/20 0.49
S1PR1 P21453 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR9 Q9NR96 1/20 0.49
TSHR P16473 1/20 0.45

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
SCHEMBL18702668 0.88 ABCB1 (0.71) ABCB1USP2NPC1RAB9ACASP3
SCHEMBL12336882 0.85 ABCB1 (0.67) ABCB1USP2NPC1RAB9ACASP3
SCHEMBL16072902 0.85 ALDH1A1 (0.52) ABCB1NPC1LMNASMN1; SMN2MAPT
SCHEMBL29938667 0.85 ALDH1A1 (0.52) ABCB1NPC1LMNASMN1; SMN2MAPT
Ethyl Bromo Acetate SCHEMBL5783532 0.84 USP2 (0.58) ABCB1USP2NPC1RAB9ACASP3
SCHEMBL5051477 0.84 HCRTR1 (0.58) RAB9ALMNAMAPTPTPN1ALDH1A1
SCHEMBL30454895 0.84 HCRTR1 (0.58) RAB9ALMNAMAPTPTPN1ALDH1A1
SCHEMBL8008468 0.83 ABCB1 (0.64) ABCB1USP2NPC1RAB9ACASP3
SCHEMBL9713678 0.83 ABCB1 (0.68) ABCB1USP2NPC1RAB9ACASP3
SCHEMBL4167809 0.83 ABCB1 (0.64) ABCB1USP2NPC1RAB9ACASP3

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-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 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 (2 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 ABCB1 1844/4885USP2 2914/4885NPC1 2796/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 ABCB1 1480/4885USP2 2848/4885NPC1 2431/4885

“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.