SCHEMBL2494498

SCHEMBL2494498

COc1cc(S(=O)(=O)Cl)cc(OC(F)(F)F)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ACHE P22303 1/20 0.37
EGFR P00533 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL2368094 0.86 CA9 (0.49) CA9CA1CA2CA12CA4
SCHEMBL4181852 0.81 TSHR (0.51) CA9CA12CYP3A4POLBTSHR
SCHEMBL2494496 0.75 KCNK3 (0.42) CA1CA2CA12TSHRGAA
SCHEMBL2730880 0.71 PTGS2 (0.48) CA9ACHECYP3A4MAPTGAA
SCHEMBL10565520 0.71 KDM4E (0.46) MAPTMAPK1KDM4EALDH1A1HTR1A
SCHEMBL12626309 0.71 MAPT (0.42) CA9CA1CA2CA12CA4
SCHEMBL5095441 0.70 POLB (0.59) CA9CA1CA2CA12ACHE
SCHEMBL20007679 0.70 NOTUM (0.43) MAPTTSHRALDH1A1
SCHEMBL6340082 0.70 MAPK1 (0.54) CA9CA12MAPTMAPK1HTT
SCHEMBL2495168 0.70 TRPV4 (0.45) CYP3A4MAPTPOLBTSHRTRPV4

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 CA9 4659/4885CA1 2198/4885CA2 3439/4885

“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.