SCHEMBL2494496

SCHEMBL2494496

COc1cccc(OC(F)(F)F)c1OC.O=S(=O)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
NFE2L2 Q16236 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.37
IGF1R P08069 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36

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
SCHEMBL2495060 0.89 SMN1; SMN2 (0.45) KCNK3KCNK9NFE2L2CA12CA1
SCHEMBL2494769 0.86 SMN1; SMN2 (0.48) NFE2L2CA12CA1CA2CA14
SCHEMBL25045837 0.80 KCNK3 (0.42) KCNK3KCNK9NPSR1MEN1GAA
SCHEMBL30184745 0.80 KCNK3 (0.42) KCNK3KCNK9NPSR1MEN1GAA
SCHEMBL24806046 0.76 SMN1; SMN2 (0.47) NFE2L2CA12CA1CA2CA14
SCHEMBL7227165 0.76 SMN1; SMN2 (0.42) KCNK3KCNK9NFE2L2CA12CA1
SCHEMBL2494498 0.75 CA9 (0.40) CA12CA1CA2TSHRGAA
SCHEMBL16957304 0.75 KCNK3 (0.39) KCNK3KCNK9NFE2L2RPS6KA2IGF1R
SCHEMBL7221831 0.75 DRD2 (0.44) NFE2L2CA12CA1CA2CA14
SCHEMBL2495168 0.74 TRPV4 (0.45) SMN1; SMN2TSHRNPSR1LMNAMEN1

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 KCNK3 2290/4885KCNK9 2140/4885NFE2L2 1568/4885

“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.