SCHEMBL2495175

SCHEMBL2495175

COc1cc(OC(F)(F)F)ccc1S(=O)(=O)O.[KH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 9/20 0.45
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.38
WDR5 P61964 1/20 0.38
RUNX1 Q01196 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 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
SCHEMBL2495137 0.88 CNR1 (0.41) ALPLGAA
SCHEMBL10740495 0.84 GAA (0.52) ALPLGAAALDH1A1MAPTKMT2A
SCHEMBL2502219 0.83 TRPV4 (0.57) ALPLGAARUNX1
SCHEMBL669063 0.82 GAA (0.54) ALPLGAAALDH1A1KMT2A
Potassium Ion SCHEMBL2495174 0.82 ALPL (0.43) ALPLGAAMAPTSCN9ARUNX1
SCHEMBL10745617 0.80 GAA (0.52) ALPLGAAALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL2532256 0.80 GAA (0.52) ALPLGAAALDH1A1MAPTKMT2A
SCHEMBL25318109 0.76 KMT2A (0.43) ALPLGAAALDH1A1LMNAMAPT
SCHEMBL13624074 0.76 LMNA (0.42) ALPLGAAPTGS1PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL28128782 0.75 AKR1C2 (0.40) SCN9AWDR5

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 ALPL 4383/4885GAA 3124/4885PTGS1 747/4885

“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.