SCHEMBL7227601

SCHEMBL7227601

CCCCCCCC(=O)OC[C@H]1OC(=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PRKCA P17252 5/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ HSPD1 P10809 1/20 0.38
▸ HSPE1 P61604 1/20 0.38
▸ TST Q16762 1/20 0.38

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
SCHEMBL4991659 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL14010258 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL4991663 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL4994061 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL4994069 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL14010283 0.76 MAPK1 (0.50) DGKANLRP3MAPK1LPAR1
SCHEMBL4996451 0.74 MAPK1 (0.72) MAPK1
SCHEMBL14010294 0.74 MAPK1 (0.72) MAPK1
SCHEMBL17318241 0.72 TLR4 (0.51) DGKANLRP3LPAR1
SCHEMBL6671603 0.71 NLRP3 (0.53) DGKANLRP3PRKCALPAR1

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-6624190-B2 Useful as biodegradable surfactants and in enzymatic processes using a chitinase (N-acetylglucosaminidase) UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2003-09-23 — — US disclosed
US-20020028954-A1 2-acylamino-2-deoxy-glucono-1,5-lactones, a method for the production thereof, compositions containing them, and uses thereof UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2002-03-07 — — US disclosed
EP-1131311-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-09-12 — — EP disclosed
WO-2000031059-A1 2-ACYLAMINO-2-DEOXY-GLUCONO-1,5-LACTONES, METHOD FOR OBTAINING SAME, COMPOSITIONS COMPRISING THEM AND USES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 2000-06-02 — — 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-20020028954-A1 2-acylamino-2-deoxy-glucono-1,5-lactones, a method for the production thereof, compositions containing them, and uses thereof ENGASE, FUT5, CHIT1 DGKA 2170/4885NLRP3 4357/4885MAPK1 2795/4885

“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.

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