SCHEMBL3421053

SCHEMBL3421053

O=C[C@H](NC(=O)C(Cl)Cl)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
PAX8 Q06710 1/20 0.35
KDM4E B2RXH2 2/20 0.34
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MARS2 Q96GW9 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL3419152 1.00 LMNA (0.39) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3419233 1.00 LMNA (0.39) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3421254 0.84 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL2295299 0.84 PAX8 (0.41) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3415637 0.84 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3414706 0.84 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL1303718 0.84 PAX8 (0.41) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL5326303 0.84 PAX8 (0.41) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3414678 0.84 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3415356 0.84 LMNA (0.38) LMNAL3MBTL1PDE4ATDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173166-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME Children's Hospital & Research Center at Oakland (US) 2010-04-14 EP claimed
WO-2009006591-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2009-01-08 WO claimed
US-20090012043-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US claimed
US-8999954-B2 Inhibitors of polysialic acid de-N-acetylase and methods for using the same Childern's Hospital & Research Center at Oakland (US) 2015-04-07 US disclosed
EP-2173166-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME Children's Hospital & Research Center at Oakland (US) 2010-04-14 EP disclosed
US-20090012043-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
WO-2009006591-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2009-01-08 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 (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-20090012043-A1 INHIBITORS OF POLYSIALIC ACID DE-N-ACETYLASE AND METHODS FOR USING THE SAME ENGASE, NANS, NEU1 LMNA 1441/4885L3MBTL1 4500/4885PDE4A 2948/4885

“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.