SCHEMBL3622208

SCHEMBL3622208

O=C(O)/C=C/c1cc2ccc(Cl)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
TBXA2R P21731 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
PLA2G1B P04054 1/20 0.42
MAPT P10636 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MDM2 Q00987 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
BCKDK O14874 1/20 0.40
MCL1 Q07820 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL3622210 1.00 ITGB2 (0.42) ITGB2ICAM1ITGALTBXA2RPTGFR
SCHEMBL3609682 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALTBXA2RPTGFR
SCHEMBL3609679 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALTBXA2RPTGFR
SCHEMBL3621255 0.79 ALDH1A1 (0.49) MAPT
SCHEMBL8176619 0.79 ALDH1A1 (0.49) MAPT
SCHEMBL1226095 0.79 CYP2A6 (0.58) TBXA2RPTGFRPTGER3PTGER2PTGDR
SCHEMBL1226099 0.79 CYP2A6 (0.58) TBXA2RPTGFRPTGER3PTGER2PTGDR
SCHEMBL3619198 0.78 PDE5A (0.46) HCAR2MAPK1KMT2ACHRNA7
SCHEMBL3619193 0.78 PDE5A (0.46) HCAR2MAPK1KMT2ACHRNA7
SCHEMBL4385517 0.76 CYP2A6 (0.58) MAPTBCKDKMCL1RXFP1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 ITGB2 2366/4885ICAM1 294/4885ITGAL 3049/4885

“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.