SCHEMBL5114637

SCHEMBL5114637

CC(C)(C)C(C(=O)O)n1c(SCCCNC(=O)C(c2ccccc2)(c2ccccc2)C2CC2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.40
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5112203 0.86 ALDH1A1 (0.47) PTGDR2NPSR1LMNAALDH1A1POLB
SCHEMBL5114817 0.85 PTGDR2 (0.43) PTGDR2TSHRMAPT
SCHEMBL5107861 0.84 PTGDR2 (0.41) PTGDR2NPSR1LMNAMEN1KMT2A
SCHEMBL5110465 0.83 TP53 (0.45) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL5113002 0.82 TSHR (0.41) PTGDR2NPSR1LMNATSHRGAA
SCHEMBL5106804 0.82 PTGDR2 (0.45) PTGDR2LMNAMEN1KMT2APOLB
SCHEMBL5122239 0.81 PTGDR2 (0.62) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5112077 0.81 TSHR (0.45) PTGDR2NPSR1LMNATSHRGAA
SCHEMBL5120534 0.81 PTGDR2 (0.47) PTGDR2NPSR1LMNATSHRGAA
SCHEMBL5121317 0.81 PTGDR2 (0.44) PTGDR2NPSR1TSHRMEN1KMT2A

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.