SCHEMBL5113371

SCHEMBL5113371

CCCCOC(=O)N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)c1ccc(C(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
TSHR P16473 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
TP53 P04637 1/20 0.39
GALR3 O60755 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
AR P10275 1/20 0.35
SIRT1 Q96EB6 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
SCHEMBL5115868 0.91 PTGDR2 (0.42) KMT2ATSHRRAB9AMEN1POLB
SCHEMBL5122096 0.91 PTGDR2 (0.40) TSHRRAB9AMAPTNPSR1PTGDR2
SCHEMBL5113375 0.88 KMT2A (0.40) KMT2ATSHRRAB9AMEN1POLB
SCHEMBL5115797 0.87 PTGDR2 (0.40) TSHRRAB9AMAPTNPSR1PTGDR2
SCHEMBL5108539 0.87 PTGDR2 (0.40) TSHRRAB9AMAPTNPSR1PTGDR2
SCHEMBL5121025 0.84 PTGDR2 (0.59) KMT2AMEN1POLBPTGDR2
SCHEMBL5113938 0.83 PTGDR2 (0.37) TSHRMAPTNPSR1PTGDR2TP53
SCHEMBL5121561 0.82 PTGDR2 (0.46) KMT2ATSHRRAB9AMEN1PTGDR2
SCHEMBL5121570 0.82 KMT2A (0.43) KMT2ATSHRRAB9AMEN1POLB
SCHEMBL5121197 0.81 PTGDR2 (0.40) KMT2AMEN1MAPTNPSR1PTGDR2

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 KMT2A 3454/4885TSHR 655/4885RAB9A 2656/4885

“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.