SCHEMBL22374839

SCHEMBL22374839

CC(=O)COc1ccc(CN(C(=O)CCl)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNIP1 Q8TF40 1/20 0.52
▸ FEM1B Q9UK73 1/20 0.52
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ GPX4 P36969 2/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ RNF4 P78317 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL22207974 0.91 FNIP1 (0.53) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL22207982 0.90 FNIP1 (0.50) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL22375077 0.90 FNIP1 (0.50) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL22375027 0.89 FNIP1 (0.49) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL20456266 0.81 ALDH1A1 (0.66) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL31104078 0.80 FNIP1 (0.58) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL23817970 0.78 GPX4 (0.54) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL21392964 0.74 NPC1 (0.62) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL21401891 0.73 RAB9A (0.58) FNIP1FEM1BNPC1RAB9AMAPT
SCHEMBL23126358 0.73 MAOB (0.55) NPC1RAB9AMAPTHTTLMNA

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 FNIP1 608/4885FEM1B 2109/4885NPC1 3061/4885

“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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