SCHEMBL6537250

SCHEMBL6537250

CCCCCCCCCCCCCCCCCCOP(=O)(CCCN(O)C=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.46
LPAR2 Q9HBW0 7/20 0.46
LPAR1 Q92633 4/20 0.46
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDC25A P30304 1/20 0.36
AGTR1 P30556 1/20 0.36
AKT1 P31749 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6537251 0.87 LPAR3 (0.49) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL6537591 0.87 LPAR3 (0.49) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL6935159 0.82 PPARD (0.47)
SCHEMBL9257620 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11671731 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11752839 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11671572 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL11668838 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL7540607 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1
SCHEMBL3815174 0.78 LPAR3 (0.59) LPAR3LPAR2LPAR1LMNAESR1

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-20040082549-A1 Use of organophosphorus compounds for the therapeutic and prophylactic treatment of infections JOMAA HASSAN (DE) 2004-04-29 US disclosed
US-6680308-B1 ADMINISTERING N-(FORMYL OR ACETYL)-N-HYDROXYLAMINO)-ALKYLPHOSPHONIC ACID DERIVATIVE AS VIRICIDE, PARASITICIDE OR FUNGICIDE BIOAGENCY AG (DE) 2004-01-20 US disclosed
EP-1071409-B1 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2003-10-15 EP disclosed
EP-1071409-A2 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS Jomaa, Hassan (DE) 2001-01-31 EP disclosed
WO-2000017212-A1 ORGANOPHOSPHOROUS COMPOUNDS AND USE THEREOF JOMAA HASSAN (DE) 2000-03-30 WO disclosed
WO-1999052515-A2 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS HASSAN JOMAA (DE) 1999-10-21 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-20040082549-A1 Use of organophosphorus compounds for the therapeutic and prophylactic treatment of infections PON1, DDT, GPX1 LPAR3 2882/4885LPAR2 3330/4885LPAR1 1757/4885

“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.