SCHEMBL15898930

SCHEMBL15898930

CS(=O)(=O)OCc1coc2cc(F)c(C(F)(F)F)cc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ AR P10275 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
SCHEMBL15898910 0.95 KIF11 (0.33) KIF11MTNR1ADDR1TP53MAPT
SCHEMBL17321030 0.83 ALOX15 (0.41) MTNR1AMAPTALOX15
SCHEMBL15898860 0.82 MTNR1A (0.33) MTNR1AALOX15
SCHEMBL17321028 0.80 ALOX15 (0.41) MTNR1AMAPTALOX15
SCHEMBL17324189 0.78 MTNR1A (0.40) KIF11MTNR1ATP53MAPTPPARD
SCHEMBL15898873 0.78 PPARD (0.45) TP53MAPTPPARDPPARAALOX15
SCHEMBL15898929 0.75 TP53 (0.33) TP53MAPTALOX15KDM1A
SCHEMBL15898829 0.74 TP53 (0.38) DDR1TP53AR
SCHEMBL15898881 0.73 MTNR1A (0.46) KIF11MTNR1A
SCHEMBL17321017 0.71 THRB (0.46) MTNR1ATP53MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 — — US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 — — EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — US disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 — — WO 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 (2 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 KIF11 4297/4885MTNR1A 1307/4885DDR1 1689/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KIF11 4391/4885MTNR1A 1805/4885DDR1 2299/4885

“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.

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