SCHEMBL2335000

SCHEMBL2335000

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA1 P00915 8/20 0.36
▸ CA2 P00918 8/20 0.36
▸ CA9 Q16790 8/20 0.36
▸ CA12 O43570 7/20 0.36
▸ CA14 Q9ULX7 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADRA2B P18089 1/20 0.35

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
SCHEMBL2335003 1.00 LMNA (0.44) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL17453046 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL2335548 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL2335538 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL17453045 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL17453047 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL2339111 0.88 MAPT (0.48) LMNAKMT2AMAPK1MAPTALDH1A1
SCHEMBL3337615 0.86 LMNA (0.57) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL13302128 0.86 LMNA (0.57) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL17689314 0.86 LMNA (0.57) LMNAKMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS UNIV JOHNS HOPKINS (US) 2016-06-02 — — US disclosed
US-9067960-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-30 — — US disclosed
US-8916544-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-25 — — 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 (3 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-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885MAPK1 4102/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885MAPK1 4102/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885MAPK1 4102/4885

“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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