SCHEMBL5139985

SCHEMBL5139985

C=CCOC(=O)N1CCCC(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
GRM3 Q14832 3/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
NR1D1 P20393 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
LIPE Q05469 1/20 0.38
PKM P14618 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL9198701 0.91 NR1D1 (0.44) RAB9ANR1D1PARP1CHRM1ITGB3
SCHEMBL9194031 0.84 NR1H2 (0.38) RAB9ANR1D1CHRM1LMNAMAPK1
SCHEMBL5629746 0.81 EPHX2 (0.49) EPHX2GRM3RAB9ANPC1POLB
SCHEMBL6674766 0.81 GPR119 (0.41) EPHX2RAB9ANPC1NR1D1SMN1; SMN2
SCHEMBL1286879 0.81 PARP1 (0.39) RAB9ANR1D1PARP1CHRM1MEN1
SCHEMBL10689326 0.79 PARP1 (0.46) GRM3RAB9ANPC1SMN1; SMN2PARP1
SCHEMBL13316383 0.78 NR1D1 (0.41) RAB9ANR1D1PARP1CHRM2CHRM1
SCHEMBL4195614 0.77 LMNA (0.46) RAB9APOLBSMN1; SMN2HTTLMNA
SCHEMBL5139506 0.77 LMNA (0.52) EPHX2GRM3RAB9ANPC1POLB
SCHEMBL4066696 0.77 RAB9A (0.50) EPHX2GRM3RAB9ANPC1POLB

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 6 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
CN-101052397-B 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2011-07-06 CN disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 CN 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 EPHX2 366/4885GRM3 299/4885RAB9A 2656/4885

“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.