SCHEMBL3378643

SCHEMBL3378643

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
SLC7A5 Q01650 1/20 0.61
ITGB2 P05107 3/20 0.58
ICAM1 P05362 3/20 0.58
ITGAL P20701 3/20 0.58
GGT1 P19440 1/20 0.56
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CPB2 Q96IY4 1/20 0.52
SLC15A2 Q16348 1/20 0.52
ALDH1A1 P00352 4/20 0.51
GABRA1 P14867 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
GABRR1 P24046 1/20 0.51
GABRR2 P28476 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51

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
SCHEMBL151336 0.85 ITGB2 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL29938832 0.85 ITGB2 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL27413426 0.85 ITGB2 (0.67) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL17846596 0.85 CYP3A4 (0.64) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL163397 0.85 ITGB2 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL27043238 0.85 ITGB2 (0.60) CYP3A4SLC7A5ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL11744091 0.84 ITGB2 (0.59) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL28171998 0.83 ITGB2 (0.58) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL468830 0.83 ITGB2 (0.64) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL6026427 0.83 ITGB2 (0.64) CYP3A4SLC7A5ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US claimed
US-20240091121-A1 PHOSPHONATES AND N-HALAMINES COMPOSITIONS FOR TARTAR REMOVAL O.Y.M. INNOVATION LTD. (IL) 2024-03-21 US disclosed
CN-116710046-A Phosphonic acid and N-halamine compositions for tartar removal O.Y.M.创新有限公司 2023-09-05 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
US-3991107-A Haloamine transfer NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed
US-3943628-A Spoon excavator for applying chemically acting tooth decay attacking fluid KRONMAN JOSEPH H 1976-03-16 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 (2 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 CYP3A4 4755/4885SLC7A5 1879/4885ITGB2 763/4885
US-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 CYP3A4 2737/4885SLC7A5 4883/4885ITGB2 2764/4885

“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.