SCHEMBL16883901

SCHEMBL16883901

CCCC(=O)OC1OC(CO)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)C1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.60
▸ LY96 Q9Y6Y9 6/20 0.53
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LGALS8 O00214 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS4 P56470 1/20 0.38

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
SCHEMBL23394777 1.00 TLR4 (0.60) TLR4LY96LMNAKMT2AMAPK1
SCHEMBL16883902 1.00 TLR4 (0.60) TLR4LY96LMNAKMT2AMAPK1
SCHEMBL16887431 1.00 TLR4 (0.60) TLR4LY96LMNAKMT2AMAPK1
SCHEMBL2341701 0.90 MAPK1 (0.51) TLR4LY96MAPK1ALDH1A1THRB
SCHEMBL2341707 0.90 MAPK1 (0.51) TLR4LY96MAPK1ALDH1A1THRB
SCHEMBL12391257 0.90 MAPK1 (0.51) TLR4LY96MAPK1ALDH1A1THRB
SCHEMBL2338181 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2ALGALS8
SCHEMBL17793805 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2ALGALS8
SCHEMBL12391271 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2ALGALS8
SCHEMBL3336078 0.87 LMNA (0.54) TLR4LY96LMNAKMT2AALDH1A1

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-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION THE JOHNS HOPKINS UNIVERSITY 2015-07-09 — — US disclosed
US-8962638-B2 Piperidine inhibitors of janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2015-02-24 — — 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-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION SLC35A1, FUT5, SLC17A5 TLR4 1611/4885LY96 681/4885LMNA 4474/4885

“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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