SCHEMBL5138935

SCHEMBL5138935

C=CCC(=O)c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
AKT1 P31749 1/20 0.31
HPGD P15428 3/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
EGFR P00533 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
JAK1 P23458 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7666645 0.76 TDP1 (0.33) CYP3A4ALDH1A1TSHRHPGDLMNA
SCHEMBL11257239 0.76 CES1 (0.33) CYP3A4ALDH1A1TSHRCYP2C19HPGD
SCHEMBL4282153 0.75 AKT1 (0.48) CYP3A4ALDH1A1TSHRCYP2C19AKT1
SCHEMBL989057 0.75 SMN1; SMN2 (0.42) CYP3A4ALDH1A1TSHRHPGDLMNA
SCHEMBL696680 0.75 GSK3B (0.48) CYP3A4HPGDKDM4EMEN1MAPT
SCHEMBL7516064 0.75 ALDH1A1 (0.48) ALDH1A1HTTLMNAKDM4EMEN1
SCHEMBL5482047 0.74 ALDH1A1 (0.43) ALDH1A1TSHRHPGDLMNACYP1A2
SCHEMBL482867 0.74 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHPGDHSD17B10
SCHEMBL480866 0.74 HPGD (0.51) CYP3A4ALDH1A1CYP2C19HPGDLMNA
SCHEMBL3268222 0.73 MAPK1 (0.40) CYP3A4ALDH1A1TSHRCYP2C19HPGD

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 7 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
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 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
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 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 CYP3A4 4625/4885ALDH1A1 470/4885TSHR 655/4885

“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.