SCHEMBL6264302

SCHEMBL6264302

CCCCCCCCCCCCCCCCOP(=O)(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
MGLL Q99685 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42

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
SCHEMBL6262193 1.00 CA1 (0.55) CA1CA2BCHEACHEALDH1A1
SCHEMBL26276881 0.95 CA1 (0.50) CA1CA2BCHEACHEALDH1A1
SCHEMBL9237969 0.87 LPAR3 (0.47) CYP3A4TSHRTP53
SCHEMBL3233444 0.82 CA1 (0.75) CA1CA2BCHEACHEALDH1A1
SCHEMBL9463259 0.80 LTA4H (0.46)
SCHEMBL18444075 0.80 CES2 (0.59) CA1CA2BCHEACHEALDH1A1
SCHEMBL30497663 0.80 CA1 (0.67) CA1CA2BCHEACHEALDH1A1
SCHEMBL18444211 0.80 CES2 (0.59) CA1CA2BCHEACHEALDH1A1
SCHEMBL4430882 0.80 CES2 (0.67) CA1CA2BCHEACHEALDH1A1
SCHEMBL3229969 0.80 CA1 (0.58) CA1CA2BCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043982-B1 LIPASE INHIBITING POLYMERS GENZYME CORP (US) 2005-11-09 EP disclosed
US-20050085535-A1 Lipase inhibiting polymers GENZYME CORPORATION (US) 2005-04-21 US disclosed
US-6875428-B2 Lipase inhibiting polymers GENZYME CORPORATION (US) 2005-04-05 US disclosed
US-20030185789-A1 Lipase inhibiting polymers GELTEX PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-6572850-B1 Treating obesity by administering a polyether substituted with a pendant B-lactone group;reduction in fat hydrolysis and absorption GELTEX PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6558657-B1 Synthetic polymer, carbohydrate or protein substituted with disulfide moiety that inhibits fat hydrolysis GELTEX PHARMACEUTICALS, INC. 2003-05-06 US disclosed
US-6352692-B1 POLYMERS WITH PHOSPHINO-CONTAINING FUNCTIONAL GROUP SUBSTITUENTS; ORALLY ADMINISTERING TO TREAT OBESITY AND HYPERTRIGLYCERIDEMIA GELTEX PHARMACEUTICALS, INC. 2002-03-05 US disclosed
US-6267952-B1 ORALLY ADMINISTERING TO MAMMAL A MODIFIED POLYMER WHICH FOR TREATING OBESITY GELTEX PHARMACEUTICALS, INC. 2001-07-31 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-20030185789-A1 Lipase inhibiting polymers PNLIP, LIPC, LPL CA1 4039/4885CA2 3350/4885BCHE 170/4885
US-20050085535-A1 Lipase inhibiting polymers PNLIP, LIPC, LPL CA1 4039/4885CA2 3350/4885BCHE 170/4885

“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.