SCHEMBL5106754

SCHEMBL5106754

CCOC(=O)CCCCSc1nc2cc(F)ccc2n1C(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.49
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
TBXA2R P21731 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
GNRHR P30968 1/20 0.37
PPOX P50336 2/20 0.36
FAAH O00519 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRNP P04156 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL5107639 0.90 PTGDR2 (0.48) PTGDR2HPGDMAPTKDM4EGLA
SCHEMBL5114192 0.87 PTGDR2 (0.65) PTGDR2MAPTKDM4EGAAPOLB
SCHEMBL5114553 0.87 PTGDR2 (0.47) PTGDR2HPGDMAPTKDM4EGLA
SCHEMBL5112911 0.86 PTGDR2 (0.66) PTGDR2MAPTKDM4EGAAFAAH
SCHEMBL5122736 0.86 PTGDR2 (0.47) PTGDR2MAPTKDM4EALDH1A1NPC1
SCHEMBL5114872 0.84 PTGDR2 (0.64) PTGDR2MAPTKDM4EGAAPOLB
SCHEMBL5121751 0.81 PTGDR2 (0.49) PTGDR2HPGDMAPTKDM4EGLA
SCHEMBL5107355 0.81 PTGDR2 (0.75) PTGDR2POLB
SCHEMBL5120625 0.79 PTGDR2 (0.47) PTGDR2POLBMAPK1KMT2A
SCHEMBL9682472 0.76 TBXA2R (0.57) PTGDR2TBXA2RGNRHR

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 12/4885HPGD 169/4885MAPT 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.