SCHEMBL5111272

SCHEMBL5111272

CC(C)(C)C(C(=O)O)n1c(SCCCN(C(=O)NCc2ccccc2)c2ccccc2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5106845 0.88 PTGDR2 (0.41) ALDH1A1PTGDR2CCR5TP53LMNA
SCHEMBL5121874 0.87 PTGDR2 (0.41) ALDH1A1PTGDR2TP53LMNAMAPT
SCHEMBL5510465 0.85 PTGDR2 (0.44) PTGDR2TP53LMNAMAPTNPSR1
SCHEMBL5121197 0.83 PTGDR2 (0.40) PTGDR2TP53LMNAMAPTNPSR1
SCHEMBL5121561 0.83 PTGDR2 (0.46) ALDH1A1PTGDR2RAB9ATP53TSHR
SCHEMBL5107897 0.81 NPSR1 (0.44) ALDH1A1PTGDR2TP53LMNAMAPT
SCHEMBL5120798 0.81 PTGDR2 (0.59) ALDH1A1PTGDR2LMNAMAPTNPSR1
SCHEMBL5113283 0.81 PTGDR2 (0.63) PTGDR2
SCHEMBL5119923 0.80 PTGDR2 (0.46) ALDH1A1PTGDR2TP53
SCHEMBL5122186 0.80 NPSR1 (0.44) PTGDR2LMNAMAPTNPSR1

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 ALDH1A1 470/4885HDAC1 1734/4885HDAC6 1902/4885

“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.