SCHEMBL373264

SCHEMBL373264

NO[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10885691 1.00 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL23925241 1.00 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL21195733 0.84 TSHR (0.33) PDE4ATSHRCYP2C9
SCHEMBL21195712 0.84 TSHR (0.33) PDE4ATSHRCYP2C9
SCHEMBL6258700 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL645759 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL19384838 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL1143744 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL5029667 0.78 PDE4A (0.38) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL23923262 0.76 PDE4A (0.36) PDE4ATSHRCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621002-A HAVING A MODIFIED COMPETITIVE ENZYME ACTIVITY INHBITOR LINKED TO A SPACER-DRUG; ENZYME CLEAVAGE AT A LOWER CONCENTRATION, I.E. LOW MICHAELIS-MENTEN CONSTANT(KM) BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-04-15 US claimed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-8778892-B2 Compounds and methods for treatment of solid tumors B & G PARTNERS, LLC (US) 2014-07-15 US disclosed
US-20120295284-A1 Fluorecent Saccharide Conjugates B&G PARTNERS, LLC 2012-11-22 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP disclosed
US-20100240878-A1 Fluorescent saccharide conjugates B&G PARTNERS, LLC 2010-09-23 US disclosed
US-20090239820-A1 Compounds and methods for treatment of solid tumors BARBEAU DONALD L 2009-09-24 US disclosed
US-5952313-A COMPOSITION FOR ANTAGONIZING GRAM NEGATIVE BACTERIAL ENDOTOXIC ACTIVITY, COMPRISING A PHARMACEUTICALLY ACCEPTABLE CARRIER AND AN ANTAGONIZING AMOUNT OF A LIPOPOLYSACCHARIDE FROM A RHIZOBIUM ETLI; TREATMENT OF SEPTIC SHOCK OR TOXIC SHOCK UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1999-09-14 US disclosed
EP-0824538-A1 SACCHAROPEPTIDES AND DERIVATIVES THEREOF GLYCOMED INCORPORATED (US) 1998-02-25 EP disclosed
US-5648343-A ADMINISTERING A LIPID THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 1997-07-15 US disclosed
WO-1996035700-A9 SACCHAROPEPTIDES AND DERIVATIVES THEREOF 1997-02-13 WO disclosed
EP-0748327-A1 STRUCTURE OF A NOVEL LIPID A AND METHODS UTILIZING SAME THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-12-18 EP disclosed
WO-1996035700-A1 SACCHAROPEPTIDES AND DERIVATIVES THEREOF GLYCOMED INCORPORATED (US) 1996-11-14 WO disclosed
WO-1995023156-A1 STRUCTURE OF A NOVEL LIPID A AND METHODS UTILIZING SAME UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-31 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 (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-20100240878-A1 Fluorescent saccharide conjugates CD44, FUT6, SIGLEC7 PDE4A 4795/4885TSHR 3233/4885CYP2C9 4834/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK PDE4A 2231/4885TSHR 2588/4885CYP2C9 2457/4885
US-20090239820-A1 Compounds and methods for treatment of solid tumors VHL, HCAR1, HCAR2 PDE4A 2124/4885TSHR 1019/4885CYP2C9 2187/4885

“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.