SCHEMBL1633986

SCHEMBL1633986

OC(c1cc(F)ccc1F)c1cc(Br)ncc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PSEN1 P49768 5/20 0.34
PSEN2 P49810 5/20 0.34
APH1B Q8WW43 5/20 0.34
NCSTN Q92542 5/20 0.34
APH1A Q96BI3 5/20 0.34
PSENEN Q9NZ42 5/20 0.34
JAK2 O60674 2/20 0.30
F2RL1 P55085 1/20 0.30
TNF P01375 1/20 0.30
HTR5A P47898 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL1631315 0.85 CES2 (0.39) CES2CES1PSEN1PSEN2APH1B
SCHEMBL1630845 0.85 CES2 (0.42) CES2CES1PSEN1PSEN2APH1B
SCHEMBL1633909 0.83 CES2 (0.37) CES2CES1PSEN1PSEN2APH1B
SCHEMBL597127 0.81 CES2 (0.38) CES2CES1PSEN1PSEN2APH1B
SCHEMBL2797363 0.80 MET (0.30)
SCHEMBL1630928 0.77 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6032115 0.77 ABL1 (0.39) CES2CES1
SCHEMBL1632088 0.77 DPP4 (0.41) CES2CES1PSEN1PSEN2APH1B
SCHEMBL27719936 0.74 CES2 (0.39) CES2CES1F2RL1CA3CA6
SCHEMBL1631846 0.72 AHR (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-7932271-B2 Heterocyclic methyl sulfone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20060241302-A1 Morpholine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP 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-20060241302-A1 Morpholine derivatives APP, BACE1, SMS CES2 3381/4885CES1 2680/4885PSEN1 4/4885

“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.