SCHEMBL9950858

SCHEMBL9950858

COc1ccc(S(=O)(=O)CC2(c3ccccc3)CC2C=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR2 O43614 4/20 0.41
HCRTR1 O43613 3/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL9950639 0.82 HCRTR2 (0.44) CA12CA9NPSR1HCRTR2HCRTR1
SCHEMBL9950432 0.82 HCRTR2 (0.51) CA12CA9NPSR1HCRTR2HCRTR1
SCHEMBL9951167 0.77 CHRM5 (0.43) HCRTR2HCRTR1MAPK1ALDH1A1
SCHEMBL9950661 0.77 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL9950439 0.76 HCRTR2 (0.38) CA12CA9NPSR1HCRTR2HCRTR1
SCHEMBL10241180 0.72 HCRTR2 (0.37) CA12CA9NPSR1HCRTR2HCRTR1
SCHEMBL9952274 0.71 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL9951241 0.71 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL20892712 0.66 MAPK1 (0.68) CA12CA9NPSR1TSHRPOLB
SCHEMBL2610422 0.66 MAOB (0.34) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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 (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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 CA12 1602/4885CA9 2914/4885NPSR1 18/4885

“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.