SCHEMBL5111882

SCHEMBL5111882

CCCCC(=O)NCCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 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
SCHEMBL5107891 0.96 PTGDR2 (0.49) PTGDR2HPGDHTTSMN1; SMN2TSHR
SCHEMBL5140063 0.90 PTGDR2 (0.46) PTGDR2HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL5120534 0.89 PTGDR2 (0.47) PTGDR2TSHRLMNANPSR1L3MBTL1
SCHEMBL5121317 0.89 PTGDR2 (0.44) PTGDR2HPGDHTTTSHRNPSR1
SCHEMBL5107194 0.88 PTGDR2 (0.43) PTGDR2HPGDLMNANPSR1L3MBTL1
SCHEMBL5113002 0.88 TSHR (0.41) PTGDR2HPGDHTTTSHRLMNA
SCHEMBL5107186 0.87 PTGDR2 (0.43) PTGDR2HPGDHTTTSHRNPSR1
SCHEMBL5112203 0.87 ALDH1A1 (0.47) PTGDR2HTTSMN1; SMN2LMNANPSR1
SCHEMBL5106804 0.86 PTGDR2 (0.45) PTGDR2LMNAMEN1KMT2A
SCHEMBL5112311 0.84 PTGDR2 (0.46) PTGDR2HTTTSHRL3MBTL1MEN1

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 12/4885HPGD 169/4885HTT 4255/4885

“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.