SCHEMBL5113002

SCHEMBL5113002

CC(C)(C)C(C(=O)O)n1c(SCCCNC(=O)CCC2CCCC2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5111882 0.88 PTGDR2 (0.48) TSHRLMNANPSR1PTGDR2GAA
SCHEMBL5140063 0.87 PTGDR2 (0.46) LMNAPTGDR2GAAMEN1KMT2A
SCHEMBL5110465 0.86 TP53 (0.45) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL5107891 0.86 PTGDR2 (0.49) TSHRLMNANPSR1PTGDR2HTT
SCHEMBL5114817 0.86 PTGDR2 (0.43) TSHRPTGDR2MAPT
SCHEMBL5121317 0.86 PTGDR2 (0.44) TSHRNPSR1PTGDR2MEN1KMT2A
SCHEMBL5112203 0.85 ALDH1A1 (0.47) LMNANPSR1PTGDR2BRD4MAPT
SCHEMBL5106695 0.85 MEN1 (0.43) TSHRLMNANPSR1PTGDR2GAA
SCHEMBL5107194 0.85 PTGDR2 (0.43) LMNANPSR1PTGDR2GAAMEN1
SCHEMBL5107186 0.84 PTGDR2 (0.43) TSHRNPSR1PTGDR2BRD4MEN1

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 TSHR 655/4885LMNA 4724/4885NPSR1 357/4885

“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.