SCHEMBL20767987

SCHEMBL20767987

O=C(O)NCCCC(=O)NCc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 9/20 0.56
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
AKR1B1 P15121 1/20 0.55
GRB2 P62993 1/20 0.55
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ERAP1 Q9NZ08 1/20 0.50
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49

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
SCHEMBL16197761 0.87 AKR1B1 (0.68) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL724773 0.85 LCK (0.63) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL723311 0.85 LCK (0.63) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL28050487 0.84 ALDH1A1 (0.62) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL20780147 0.83 ALDH1A1 (0.48) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL16197641 0.82 HSD17B3 (0.64) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL2760317 0.77 LCK (0.61) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL532562 0.76 BCHE (0.60) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL10035655 0.76 LCK (0.60) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL13851556 0.76 HSD17B3 (0.54) HSD17B3LCKFYNAKR1B1GRB2

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-10221441-B1 Compounds and methods for assaying activity of lysosomal storage diseases Cabridge Isotope Laboratories, Inc. (US) 2019-03-05 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-10221441-B1 Compounds and methods for assaying activity of lysosomal storage diseases GBA1, MAN2B1, GBA2 HSD17B3 250/4885LCK 4767/4885FYN 4057/4885

“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.