SCHEMBL15965661

SCHEMBL15965661

CCC1OC(O)C(NC(C)=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HK1 P19367 3/20 0.40
▸ HK2 P52789 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AMDHD2 Q9Y303 1/20 0.38
▸ CD69 Q07108 1/20 0.37

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
SCHEMBL18309824 1.00 MAPK1 (0.49) MAPK1ALDH1A1THRBLMNAKDM4E
SCHEMBL12023177 1.00 MAPK1 (0.49) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL20621758 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL22748755 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL22264045 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL24978032 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL24105621 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL24276732 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL20798032 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E
N-Acetylglucosamine SCHEMBL25229254 0.86 MAPK1 (0.63) MAPK1ALDH1A1THRBLMNAKDM4E

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-20170204444-A9 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-20 — — US disclosed
US-20170016040-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-19 — — US disclosed
US-9290530-B2 Chemoenzymatic synthesis of heparin and heparan sulfate analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-22 — — US disclosed
US-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-21 — — 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 (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-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS HPSE, ENGASE, GALE MAPK1 1972/4885ALDH1A1 581/4885THRB 4148/4885

“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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