SCHEMBL5121640

SCHEMBL5121640

CC(C)(C)C(C(=O)O)n1c(SCCOc2ccc(Cl)cc2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
POLB P06746 1/20 0.53
PABPC1 P11940 1/20 0.53
HCRTR1 O43613 1/20 0.51
AR P10275 5/20 0.50
MAPT P10636 1/20 0.49
PPARG P37231 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL5112725 0.93 PTGDR2 (0.60) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5121883 0.90 MEN1 (0.51) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5115400 0.89 PTGDR2 (0.63) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5112902 0.88 MEN1 (0.48) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5122051 0.87 PTGDR2 (0.61) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5113599 0.86 MEN1 (0.48) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5115184 0.84 MEN1 (0.45) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5115178 0.84 MEN1 (0.45) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5113350 0.82 PTGDR2 (0.64) PTGDR2MEN1KMT2APOLBPABPC1
SCHEMBL5114251 0.82 PTGDR2 (0.49) PTGDR2MEN1KMT2APOLBPABPC1

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 12/4885MEN1 4731/4885KMT2A 3454/4885

“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.