SCHEMBL5113989

SCHEMBL5113989

CCCCC(=O)N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.45
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL5107880 0.92 PTGDR2 (0.44) PTGDR2NPSR1LMNAMAPTL3MBTL1
SCHEMBL5114774 0.91 PTGDR2 (0.47) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5114024 0.88 PTGDR2 (0.45) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5106080 0.88 PTGDR2 (0.43) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5108644 0.88 PTGDR2 (0.43) PTGDR2NPSR1MAPTALDH1A1L3MBTL1
SCHEMBL5115287 0.87 PTGDR2 (0.44) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5107629 0.86 PTGDR2 (0.46) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5122394 0.86 PTGDR2 (0.46) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5120798 0.86 PTGDR2 (0.59) PTGDR2NPSR1LMNAMAPTALDH1A1
SCHEMBL5121561 0.85 PTGDR2 (0.46) PTGDR2ALDH1A1L3MBTL1MEN1KMT2A

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 12/4885NPSR1 357/4885LMNA 4724/4885

“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.