SCHEMBL5113947

SCHEMBL5113947

O=C(O)Cn1c(SCCOc2ccccc2F)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.77
PTGDR2 Q9Y5Y4 6/20 0.76
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MAPT P10636 1/20 0.72
THRB P10828 1/20 0.72
ATM Q13315 1/20 0.67
PPARG P37231 1/20 0.67
POLB P06746 1/20 0.67

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
SCHEMBL5110637 0.87 PDPK1 (0.80) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5120963 0.87 PDPK1 (1.00) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5113912 0.86 PTGDR2 (1.00) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5113955 0.85 PTGDR2 (1.00) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL20250916 0.83 POLB (0.77) PDPK1PTGDR2MEN1KMT2ALMNA
SCHEMBL5119950 0.80 PTGDR2 (0.85) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5107201 0.80 PTGDR2 (1.00) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5116087 0.80 POLB (1.00) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5107362 0.80 MEN1 (0.92) PDPK1PTGDR2MEN1KMT2AATM
SCHEMBL5120098 0.80 PTGDR2 (1.00) PDPK1PTGDR2MEN1KMT2AATM

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 4 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 claimed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
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 PDPK1 1619/4885PTGDR2 12/4885MEN1 4731/4885

“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.