SCHEMBL4122759

SCHEMBL4122759

O=C(O)c1ccc(C2CCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.60
SIGMAR1 Q99720 5/20 0.60
PREP P48147 3/20 0.51
KDM1A O60341 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
ACE2 Q9BYF1 2/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
CTRB1 P17538 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AADAT Q8N5Z0 1/20 0.48

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
SCHEMBL5474103 0.96 TMEM97 (0.65) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL18394326 0.91 TMEM97 (0.61) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL4123903 0.91 TMEM97 (0.58) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL2379314 0.88 TMEM97 (0.60) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL4033512 0.87 TMEM97 (0.68) TMEM97SIGMAR1PREPNPC1RAB9A
SCHEMBL27924857 0.87 TMEM97 (0.63) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL5456476 0.87 SIGMAR1 (0.63) TMEM97SIGMAR1PREPKDM1ARCOR1
SCHEMBL27924834 0.86 TMEM97 (0.62) TMEM97SIGMAR1PREPKDM1ARCOR1
Water SCHEMBL27700641 0.86 TMEM97 (0.67) TMEM97SIGMAR1PREPNPC1RAB9A
SCHEMBL2049032 0.86 TMEM97 (0.58) TMEM97SIGMAR1PREPKDM1ARCOR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TMEM97 1942/4885SIGMAR1 1778/4885PREP 890/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TMEM97 1942/4885SIGMAR1 1778/4885PREP 890/4885

“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.