SCHEMBL5115797

SCHEMBL5115797

CCOC(=O)c1ccc(N(CCCSc2nc3ccccc3n2C(C(=O)O)C(C)(C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.40
TP53 P04637 3/20 0.39
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.35
PSMD14 O00487 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5108539 0.91 PTGDR2 (0.40) PTGDR2TP53GAANPC1RAB9A
SCHEMBL5115406 0.90 PTGDR2 (0.40) PTGDR2TP53MAPTNPSR1L3MBTL1
SCHEMBL5113938 0.89 PTGDR2 (0.37) PTGDR2TP53GAATSHRHTT
SCHEMBL5115868 0.89 PTGDR2 (0.42) PTGDR2TP53GAANPC1RAB9A
SCHEMBL5122096 0.89 PTGDR2 (0.40) PTGDR2TP53GAANPC1RAB9A
SCHEMBL5115798 0.88 PTGDR2 (0.40) PTGDR2GAARAB9ATSHRPSMD14
SCHEMBL5113371 0.87 KMT2A (0.40) PTGDR2TP53GAANPC1RAB9A
SCHEMBL5113996 0.85 PTGDR2 (0.58) PTGDR2TP53
SCHEMBL5122394 0.80 PTGDR2 (0.46) PTGDR2HTTALDH1A1MAPTNPSR1
SCHEMBL5121561 0.79 PTGDR2 (0.46) PTGDR2TP53NPC1RAB9ATSHR

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 12/4885TP53 3872/4885GAA 3919/4885

“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.