SCHEMBL5114854

SCHEMBL5114854

CCOC(=O)c1ccc(NC(=O)C(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.69
S1PR3 Q99500 3/20 0.69
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 2/20 0.65
NPY2R P49146 1/20 0.60
TSHR P16473 1/20 0.60
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 5/20 0.57
GAA P10253 2/20 0.57
HTT P42858 3/20 0.57
CASR P41180 1/20 0.56
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL28290800 0.82 NPY2R (0.54) MEN1KMT2AMAPTNPY2RTSHR
SCHEMBL7649404 0.81 HTR1E (0.70) HTR1ES1PR3MEN1KMT2AMAPT
SCHEMBL7655911 0.80 SMN1; SMN2 (0.66) S1PR3MEN1KMT2AMAPTLMNA
SCHEMBL10955574 0.78 SLC6A2 (0.70) HTR1ES1PR3MEN1KMT2AMAPT
SCHEMBL28632940 0.76 SLC6A2 (0.67) HTR1ES1PR3MEN1KMT2AMAPT
SCHEMBL5679358 0.75 SMN1; SMN2 (0.60) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL16669620 0.74 RAB9A (0.86) KMT2AMAPTLMNARAB9ASMN1; SMN2
SCHEMBL5049482 0.74 CYP1A2 (0.63) HTR1ES1PR3MEN1KMT2AMAPT
SCHEMBL771186 0.74 MAPT (0.66) MEN1KMT2AMAPTTSHRRAB9A
SCHEMBL4724997 0.74 SMN1; SMN2 (1.00) MEN1KMT2AMAPTLMNATSHR

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 HTR1E 860/4885S1PR3 128/4885MEN1 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.