SCHEMBL2494494

SCHEMBL2494494

FC(F)(F)COc1ccc(OCC(F)(F)F)cc1.O=S(=O)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
PAX8 Q06710 2/20 0.42
PTPRZ1 P23471 1/20 0.42
GPR3 P46089 1/20 0.41
SCN5A Q14524 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
SCN9A Q15858 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL2494091 0.90 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2MEN1LMNA
SCHEMBL1031792 0.88 PTPRZ1 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL498377 0.86 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14427226 0.84 SCN5A (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14427215 0.84 PTPRZ1 (0.41) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18118512 0.80 CA12 (0.59) ALDH1A1HTTCA1CA2CA9
Bicarbonate SCHEMBL27771212 0.80 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7026279 0.80 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10498402 0.80 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18380932 0.79 SCN5A (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 ALDH1A1 2628/4885MAPT 672/4885SMN1; SMN2 2982/4885

“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.