SCHEMBL5113142

SCHEMBL5113142

CC(C)(C)C(C(=O)O)n1c(SCCCN(c2ccccc2)S(=O)(=O)c2ccccc2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5109335 0.87 NPSR1 (0.42) PTGDR2SMN1; SMN2NPSR1L3MBTL1MAPT
SCHEMBL5120952 0.86 PTGDR2 (0.44) PTGDR2SMN1; SMN2NPSR1L3MBTL1MAPT
SCHEMBL5120697 0.85 PTGDR2 (0.38) PTGDR2SMN1; SMN2ALDH1A1ESR1NPSR1
SCHEMBL5111014 0.81 PTGDR2 (0.43) PTGDR2SMN1; SMN2ALDH1A1NPSR1L3MBTL1
SCHEMBL5121197 0.80 PTGDR2 (0.40) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL5121874 0.80 PTGDR2 (0.41) PTGDR2SMN1; SMN2ALDH1A1NPSR1CYP2C9
SCHEMBL5115406 0.80 PTGDR2 (0.40) PTGDR2NPSR1L3MBTL1MAPTLMNA
SCHEMBL5112502 0.80 NPSR1 (0.42) PTGDR2SMN1; SMN2ALDH1A1NPSR1CYP2C9
SCHEMBL5121561 0.80 PTGDR2 (0.46) PTGDR2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5106845 0.80 PTGDR2 (0.41) PTGDR2ALDH1A1NPSR1CYP2C9CYP2C19

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 NR1I2 188/4885PTGDR2 12/4885SMN1; SMN2 3386/4885

“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.