SCHEMBL16218793

SCHEMBL16218793

O=C(NC1[C@@H](OCc2ccccc2)OC(CO)[C@@H](O)[C@@H]1O)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SYNJ2 O15056 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GALK1 P51570 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ EIF4H Q15056 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL26103746 1.00 LGALS8 (0.44) LGALS8SLC6A2SYNJ2POLBKDM4E
SCHEMBL2307255 1.00 LGALS8 (0.44) LGALS8SLC6A2SYNJ2POLBKDM4E
SCHEMBL2307262 1.00 LGALS8 (0.44) LGALS8SLC6A2SYNJ2POLBKDM4E
SCHEMBL2311527 0.92 LGALS8 (0.47) LGALS8SLC6A2
SCHEMBL2311523 0.92 LGALS8 (0.47) LGALS8SLC6A2
SCHEMBL7768969 0.89 LGALS8 (0.51) LGALS8SLC6A2SYNJ2POLBKDM4E
SCHEMBL14376669 0.88 LGALS8 (0.42) LGALS8CA1CA2CA9MEN1
SCHEMBL14376670 0.87 LGALS8 (0.40) LGALS8CA1CA2CA9MEN1
SCHEMBL15501143 0.87 ANPEP (0.38) LGALS8SYNJ2POLBKDM4EABL1
SCHEMBL2003090 0.87 ANPEP (0.38) LGALS8SYNJ2POLBKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112924-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF K2 HEALTHVENTURES LLC, AS CANADIAN COLLATERAL AGENT 2017-04-27 — — US disclosed
US-20140328876-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF VARIATION BIOTECHNOLOGIES INC. (CA) 2014-11-06 — — 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-20140328876-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF MPL, CD47, PLTP LGALS8 311/4885SLC6A2 4550/4885SYNJ2 548/4885
US-20170112924-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF MPL, CD47, PLTP LGALS8 308/4885SLC6A2 4452/4885SYNJ2 333/4885

“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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