SCHEMBL16295220

SCHEMBL16295220

O=Cc1ccc(NC(=O)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)Nc2ccc(C=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 15/20 0.47
▸ LMNA P02545 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17618221 0.94 BCHE (0.42) BCHELMNAMC4RSMN1; SMN2
SCHEMBL17624084 0.94 BCHE (0.52) BCHE
SCHEMBL13091434 0.74 FAAH (0.53) BCHELMNASMN1; SMN2
SCHEMBL24845046 0.73 ALDH1A1 (0.48) BCHESMN1; SMN2
SCHEMBL16229589 0.72 BCHE (0.49) BCHE
SCHEMBL5223794 0.71 SMN1; SMN2 (0.62) LMNASMN1; SMN2
SCHEMBL8312155 0.70 ALDH1A1 (0.59) LMNASMN1; SMN2
SCHEMBL19821133 0.69 BCHE (0.52) BCHELMNA
SCHEMBL12166665 0.69 MAPT (0.50) BCHESMN1; SMN2
SCHEMBL16294636 0.68 PTGIR (0.41) BCHELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2016-11-10 — — US claimed
EP-3008072-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF Archer-Daniels-Midland Company (US) 2016-04-20 — — EP claimed
WO-2014200637-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2014-12-18 — — WO claimed
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2016-11-10 — — US disclosed
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2016-11-10 — — US disclosed
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2016-11-10 — — US disclosed
US-9422304-B2 Synthesis of isohexide dicarbamates and derivatives thereof ARCHER DANIELS MIDLAND COMPANY (US) 2016-08-23 — — US disclosed
US-9422304-B2 Synthesis of isohexide dicarbamates and derivatives thereof ARCHER DANIELS MIDLAND COMPANY (US) 2016-08-23 — — US disclosed
EP-3008072-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF Archer-Daniels-Midland Company (US) 2016-04-20 — — EP disclosed
US-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-03-24 — — US disclosed
US-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-03-24 — — US disclosed
WO-2014200637-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2014-12-18 — — 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 (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-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF PRKCA, PRKCE, PRKCI BCHE 1011/4885LMNA 3810/4885MC4R 509/4885
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF PRKCA, PRKCE, PRKCI BCHE 1011/4885LMNA 3810/4885MC4R 509/4885

“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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