SCHEMBL4836284

SCHEMBL4836284

O=P(O)(O)Cc1ccccc1CBr

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.55
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
PGK1 P00558 3/20 0.42
PGK2 P07205 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39

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
SCHEMBL8053801 0.89 ACP3 (0.65) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29707862 0.89 ACP3 (0.65) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11499183 0.80 ACP3 (0.57) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28213109 0.80 ACP3 (0.62) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2420219 0.78 ACP3 (0.55) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL915357 0.76 ACP3 (0.57) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29382225 0.75 TSHR (0.50) TSHR
SCHEMBL28289 0.75 TSHR (0.50) TSHR
SCHEMBL499459 0.75 AKR1B1 (0.55) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL232548 0.74 PGK1 (0.57) ACP3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed
US-4219510-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1980-08-26 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ACP3 4745/4885GRIN2D 149/4885GRIN3B 138/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ACP3 4745/4885GRIN2D 149/4885GRIN3B 138/4885

“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.