SCHEMBL5114943

SCHEMBL5114943

Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 1.00
LMNA P02545 5/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
TP53 P04637 2/20 0.80
NPC1 O15118 2/20 0.80
MAPT P10636 5/20 0.77
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
HTT P42858 4/20 0.77
HPGD P15428 2/20 0.77
ALDH1A1 P00352 2/20 0.66
BCHE P06276 1/20 0.61
RAB9A P51151 2/20 0.59
GALR3 O60755 1/20 0.59
STAT3 P40763 1/20 0.59
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAOB P27338 1/20 0.56
EPHX2 P34913 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL18155143 0.89 AR (1.00) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL5503497 0.87 LMNA (0.85) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL15329956 0.84 AR (0.74) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL5112528 0.83 AR (0.70) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL5112521 0.83 AR (0.70) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL5499447 0.80 AR (0.67) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL14304933 0.80 BCHE (0.77) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL11475158 0.78 BCHE (1.00) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL6605379 0.77 AR (0.68) ARLMNASMN1; SMN2TP53NPC1
SCHEMBL6603577 0.77 AR (0.68) ARLMNASMN1; SMN2TP53NPC1

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 disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO 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 AR 528/4885LMNA 4724/4885SMN1; SMN2 3386/4885

“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.