SCHEMBL3379281

SCHEMBL3379281

NC[C@H](O)CC[C@H](NCl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
GGT1 P19440 1/20 0.33
FOLH1 Q04609 2/20 0.32
RIMKLA Q8IXN7 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
TGFBR1 P36897 1/20 0.31
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL3378525 0.80 GABRR1 (0.40) GABRR1LMNAGGT1FOLH1RIMKLA
SCHEMBL31419895 0.80 GABRR1 (0.40) GABRR1LMNAGGT1FOLH1RIMKLA
SCHEMBL2192135 0.78 GGT1 (0.47) GABRR1LMNAGGT1FOLH1RIMKLA
SCHEMBL13145343 0.78
SCHEMBL5974497 0.77 SMN1; SMN2 (0.50) GABRR1LMNAFOLH1RIMKLANAALAD2
SCHEMBL468724 0.77 SMN1; SMN2 (0.50) GABRR1LMNAFOLH1RIMKLANAALAD2
SCHEMBL29713557 0.77 GABRR1 (0.42) GABRR1LMNAGGT1FOLH1RIMKLA
SCHEMBL5974504 0.77 SMN1; SMN2 (0.50) GABRR1LMNAFOLH1RIMKLANAALAD2
SCHEMBL4753597 0.76 GGH (0.42) GABRR1LMNAGGT1FOLH1
SCHEMBL3378500 0.75 FOLH1 (0.49) GABRR1LMNACYP1A2TSHRGGT1

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-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2024-03-21 US disclosed
EP-4274539-A2 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. Innovation Ltd. (IL) 2023-11-15 EP disclosed
WO-2022149126-A2 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2022-07-14 WO disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 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 (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-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL PHOSPHO1, PHPT1, PTMS GABRR1 3803/4885LMNA 1066/4885CYP1A2 4868/4885

“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.