SCHEMBL19795853

SCHEMBL19795853

Cc1ccc([C@@H]2O[C@H](c3ccc(OC(F)(F)F)cc3)C3C(=O)OC[C@H](c4ccccc4)N32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
PDE5A O76074 1/20 0.35
ANXA2 P07355 1/20 0.34
S100A10 P60903 1/20 0.34
LMNA P02545 2/20 0.34
KCNH2 Q12809 2/20 0.34
CCR6 P51684 1/20 0.34
CHRM5 P08912 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LIPE Q05469 3/20 0.32
NR1H2 P55055 2/20 0.32

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
SCHEMBL18011890 0.95 MDM2 (0.38) MDM2HCRTR1HCRTR2PDE5AKCNH2
SCHEMBL19795849 0.88 MAPK1 (0.41) LMNAMEN1KMT2A
SCHEMBL19795855 0.87 LMNA (0.35) ANXA2S100A10LMNAHTTMEN1
SCHEMBL19795858 0.86 LMNA (0.34) LMNAGAAHTTMEN1KMT2A
SCHEMBL18011887 0.83 MAPK1 (0.44) MDM2LMNAMEN1KMT2A
SCHEMBL19795842 0.82 ALDH1A1 (0.34) LMNAGAAHTTMEN1KMT2A
SCHEMBL18011735 0.81 SCN9A (0.35) HTTKMT2A
SCHEMBL18012015 0.81 STING1 (0.35) LMNACCR6HTTMEN1KMT2A
SCHEMBL18011728 0.80 CYP19A1 (0.36) MDM2HTTCYP2D6CYP2C19
SCHEMBL737972 0.78 TP53 (0.41) LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA MDM2 4865/4885HCRTR1 2703/4885HCRTR2 2640/4885

“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.