SCHEMBL6759583

SCHEMBL6759583

Cc1ccc(Sc2ccccc2/C=C/C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.61
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
NFKB1 P19838 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
PTGDR Q13258 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL6759585 1.00 PTGES (0.61) PTGESHDAC1HDAC8HDAC6ITGB2
SCHEMBL18812999 0.89 ITGB2 (0.60) PTGESHDAC1HDAC8HDAC6ITGB2
SCHEMBL6766087 0.85 HDAC1 (0.72) PTGESHDAC1HDAC8HDAC6ITGB2
SCHEMBL6766091 0.85 HDAC1 (0.72) PTGESHDAC1HDAC8HDAC6ITGB2
SCHEMBL7650686 0.84 ITGB2 (0.69) HDAC1HDAC8HDAC6ITGB2ICAM1
SCHEMBL6761158 0.82 ALDH1A1 (0.52) PTGESHDAC1HDAC8HDAC6CA1
SCHEMBL6761159 0.82 ALDH1A1 (0.52) PTGESHDAC1HDAC8HDAC6CA1
SCHEMBL6759562 0.81 ITGB2 (0.60) PTGESITGB2ICAM1ITGALNFKB1
SCHEMBL6759567 0.81 ITGB2 (0.60) PTGESITGB2ICAM1ITGALNFKB1
SCHEMBL7822972 0.81 PTGER3 (0.57) PTGESHDAC1HDAC8HDAC6ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US 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 (2 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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PTGES 739/4885HDAC1 1108/4885HDAC8 2330/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PTGES 739/4885HDAC1 1108/4885HDAC8 2330/4885

“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.