SCHEMBL5122736

SCHEMBL5122736

CCOC(=O)CCCCSc1nc2cc([N+](=O)[O-])ccc2n1C(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
GNRHR P30968 8/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPBWR1 P48145 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 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
SCHEMBL5121751 0.93 PTGDR2 (0.49) PTGDR2GNRHRMAPTKDM4EKMT2A
SCHEMBL5106754 0.86 PTGDR2 (0.49) PTGDR2GNRHRMAPTKDM4EKMT2A
SCHEMBL5107639 0.85 PTGDR2 (0.48) PTGDR2MAPTKDM4EKMT2ANPC1
SCHEMBL5114192 0.84 PTGDR2 (0.65) PTGDR2MAPTKDM4EKMT2A
SCHEMBL5114553 0.84 PTGDR2 (0.47) PTGDR2GNRHRMAPTKDM4EKMT2A
SCHEMBL5112911 0.83 PTGDR2 (0.66) PTGDR2MAPTKDM4EKMT2A
SCHEMBL5106672 0.82 PTGDR2 (0.70) PTGDR2KMT2AMEN1IRAK4
SCHEMBL5114872 0.81 PTGDR2 (0.64) PTGDR2MAPTKDM4EKMT2A
SCHEMBL5112310 0.81 GNRHR (0.43) PTGDR2GNRHRMAPTKMT2AMEN1
SCHEMBL5112319 0.81 GNRHR (0.43) PTGDR2GNRHRMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US 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 (1 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885GNRHR 1834/4885MAPT 4293/4885

“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.