SCHEMBL20539892

SCHEMBL20539892

N[C@@H](Cc1cnc(CCCCB(O)O)[nH]1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 6/20 0.46
ARG1 P05089 5/20 0.46
SLC7A5 Q01650 2/20 0.44
CYP3A4 P08684 1/20 0.44
GGT1 P19440 4/20 0.39
SLC1A3 P43003 1/20 0.38
HSD17B10 Q99714 1/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL29356218 0.89 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL8319666 0.82 CYP3A4 (0.48) SLC7A5CYP3A4SLC1A3HSD17B10GRIA1
SCHEMBL849758 0.80 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
Methylamine SCHEMBL29022748 0.80 CYP3A4 (0.46) SLC7A5CYP3A4SLC1A3HSD17B10GRIA1
SCHEMBL27446953 0.77 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL22403244 0.76 SLC7A5 (0.50) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL29022740 0.75 SLC7A5 (0.47) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL27264186 0.74 SLC7A5 (0.49) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL10403754 0.73 SLC7A5 (0.48) SLC7A5CYP3A4SLC1A3HSD17B10ALPI
SCHEMBL13095827 0.73 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3HSD17B10ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296584-A1 Membrane Active Molecules KNOWLEDGE PHARMACEUTICALS INC. 2022-09-22 US disclosed
EP-3973997-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2022-03-30 EP disclosed
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2020-12-03 US disclosed
EP-3615084-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2020-03-04 EP disclosed
WO-2018200412-A1 MEMBRANE ACTIVE MOLECULES BraneQuest, Inc. (US) 2018-11-01 WO disclosed
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2018-10-25 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 (3 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-20220296584-A1 Membrane Active Molecules GABRP, GRIN3A, GRIN2A ARG2 2061/4885ARG1 4334/4885SLC7A5 2297/4885
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A ARG2 2061/4885ARG1 4334/4885SLC7A5 2297/4885
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A ARG2 2061/4885ARG1 4334/4885SLC7A5 2297/4885

“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.