SCHEMBL10099994

SCHEMBL10099994

C=CCC(=O)O[C@@]12C[C@@H](OC1=O)C1OC(C)(C)O[C@@H]1C2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.30

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
SCHEMBL12511006 0.84 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL12510958 0.84 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL10099996 0.84 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL13825725 0.84 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL13825710 0.84 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL10063783 0.81 MGAM (0.35) MGAMCA1CA2GAASI
SCHEMBL12432564 0.80 OPRM1 (0.31) —
SCHEMBL14403761 0.80 OPRM1 (0.31) —
SCHEMBL17466776 0.79 MGAM (0.34) MGAMCA1CA2GAASI
SCHEMBL23640700 0.77 MGAM (0.30) MGAMCA1CA2GAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303050-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 — — US disclosed
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-20 — — US disclosed
US-8975422-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-03-10 — — US disclosed
US-RE45324-E1 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-06 — — US disclosed
US-8884031-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-11-11 — — US disclosed
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-07 — — US disclosed
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-12 — — US disclosed
US-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 — — US disclosed
US-8445701-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-21 — — US disclosed
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-06 — — US disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 — — 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 (6 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-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B MGAM 3849/4885CA1 2999/4885CA2 3556/4885
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 MGAM 3779/4885CA1 2718/4885CA2 2682/4885
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B MGAM 3849/4885CA1 2999/4885CA2 3556/4885
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 MGAM 3779/4885CA1 2718/4885CA2 2682/4885
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B MGAM 3849/4885CA1 2999/4885CA2 3556/4885
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B MGAM 3849/4885CA1 2999/4885CA2 3556/4885

“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.

Send feedback