SCHEMBL5114774

SCHEMBL5114774

CC(C)(C)C(C(=O)O)n1c(SCCCN(CCc2ccccc2)C(=O)Cc2ccccc2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL5122186 0.92 NPSR1 (0.44) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5113989 0.91 PTGDR2 (0.45) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5114024 0.91 PTGDR2 (0.45) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5107629 0.88 PTGDR2 (0.46) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5122394 0.88 PTGDR2 (0.46) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5120798 0.88 PTGDR2 (0.59) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5121874 0.87 PTGDR2 (0.41) PTGDR2NPSR1MAPTLMNASMN1; SMN2
SCHEMBL5115287 0.86 PTGDR2 (0.44) PTGDR2NPSR1MAPTLMNAL3MBTL1
SCHEMBL5108644 0.85 PTGDR2 (0.43) PTGDR2NPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL5112086 0.84 PTGDR2 (0.39) PTGDR2NPSR1MAPTLMNASMN1; SMN2

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 357/4885MAPT 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.