SCHEMBL8105907

SCHEMBL8105907

CC(C)(c1ccc(O)c(CN)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.47
CYP2D6 P10635 4/20 0.44
ESR1 P03372 6/20 0.43
ESR2 Q92731 4/20 0.43
PDE2A O00408 1/20 0.40
CACNA1B Q00975 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3174968 0.82 MEN1 (0.44) KLF10CYP2D6ESR1ESR2ALDH1A1
SCHEMBL13863352 0.82 KLF10 (0.69) KLF10CYP2D6ESR1ESR2CACNA1B
Hydrochloric Acid SCHEMBL10639643 0.80 CYP2D6 (0.61) KLF10CYP2D6ESR1ESR2CACNA1B
Hydrochloric Acid SCHEMBL11678998 0.76 ESR1 (0.51) KLF10CYP2D6ESR1ESR2CACNA1B
SCHEMBL26601616 0.76 ESR1 (0.63) ESR1ESR2PDE2AALDH1A1MEN1
SCHEMBL25999355 0.75 KLF10 (0.59) KLF10CYP2D6ESR1ESR2CACNA1B
SCHEMBL27971960 0.73 KLF10 (0.45) KLF10CYP2D6ESR1ESR2CACNA1B
SCHEMBL26031085 0.70 PDE2A (0.52) PDE2APLGKLKB1KLK1KLK6
SCHEMBL3648582 0.69 ERN1 (0.46) MAPTSMN1; SMN2
SCHEMBL8097447 0.68 TAAR1 (0.49) PDE2AALDH1A1CYP3A4CYP1A2CYP2C19

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
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 US disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP KLF10 4072/4885CYP2D6 480/4885ESR1 1394/4885

“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.