SCHEMBL5120969

SCHEMBL5120969

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
GAA P10253 1/20 0.37
HTT P42858 2/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5112492 0.84 PTGDR2 (0.39) PTGDR2MAPTNPSR1ALDH1A1POLB
SCHEMBL5112077 0.83 TSHR (0.45) PTGDR2GAANPSR1CYP1A2CYP3A4
SCHEMBL5109960 0.83 PTGDR2 (0.42) PTGDR2HTTMAPTNPSR1ALDH1A1
SCHEMBL5114369 0.83 PTGDR2 (0.43) PTGDR2MAPTNPSR1ALDH1A1POLB
SCHEMBL5111014 0.83 PTGDR2 (0.43) PTGDR2GAANPSR1ALDH1A1POLB
SCHEMBL5500163 0.82 PTGDR2 (0.60) PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL5110273 0.81 PTGDR2 (0.47) PTGDR2HTTNPSR1ALDH1A1POLB
SCHEMBL5122430 0.80 TSHR (0.50) PTGDR2GAAMAPTCYP1A2CYP3A4
SCHEMBL5114817 0.80 PTGDR2 (0.43) PTGDR2MAPTTSHR
SCHEMBL5115635 0.79 PTGDR2 (0.43) PTGDR2HTTNPSR1ALDH1A1

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 12/4885GAA 3919/4885HTT 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.