SCHEMBL9950432

SCHEMBL9950432

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.51
HCRTR1 O43613 13/20 0.50
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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 0.84 HCRTR2 (0.44) HCRTR2HCRTR1CA12CA9NPSR1
SCHEMBL9950858 0.82 CA12 (0.41) HCRTR2HCRTR1CA12CA9NPSR1
SCHEMBL9951241 0.81 HCRTR2 (0.57) HCRTR2HCRTR1CYP2C8CYP2C19
SCHEMBL9952274 0.81 HCRTR2 (0.56) HCRTR2HCRTR1CYP2C8CYP2C19
SCHEMBL9950621 0.77 HCRTR2 (0.81) HCRTR2HCRTR1CYP2C8CYP2C19
SCHEMBL9950439 0.74 HCRTR2 (0.38) HCRTR2HCRTR1CA12CA9NPSR1
SCHEMBL10188732 0.72 HCRTR2 (0.70) HCRTR2HCRTR1CYP2C8CYP2C19PDE4B
SCHEMBL2397437 0.69 POLB (0.58) CA12CA9NPSR1PDE4APDE4B
SCHEMBL23357092 0.68 MAOB (0.41) HCRTR2HCRTR1
SCHEMBL10188736 0.68 HCRTR2 (0.72) HCRTR2HCRTR1CYP2C8CYP2C19

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 HCRTR2 1/4885HCRTR1 2/4885CA12 1602/4885

“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.