SCHEMBL2646824

SCHEMBL2646824

O=C(NC[C@@H](O)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.55
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
SYK P43405 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TGM2 P21980 1/20 0.49
CTRB1 P17538 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PLAU P00749 1/20 0.48

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
SCHEMBL3701587 1.00 LMNA (0.58) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL2142734 1.00 LMNA (0.58) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL13618128 0.88 LMNA (0.55) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL14617628 0.88 LMNA (0.55) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL2525369 0.88 LMNA (0.55) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL2525365 0.88 LMNA (0.55) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL14019069 0.87 LMNA (0.66) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL5019087 0.87 LMNA (0.61) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL8132360 0.85 CTSS (0.53) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL8274264 0.85 LMNA (0.56) LMNASMN1; SMN2HTTCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER, INC. (US) 2009-11-19 US disclosed
US-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER, INC. (US) 2009-11-19 US disclosed
US-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER, INC. (US) 2009-11-19 US disclosed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US disclosed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US disclosed
US-20090227680-A1 Amino Acid Derivatives PFIZER, INC. (US) 2009-09-10 US disclosed
WO-2007057756-A2 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-24 WO disclosed
WO-2007057767-A2 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed
US-4237269-A BACTERICIDES ABBOTT LABORATORIES (US) 1980-12-02 US disclosed
US-4231945-A BACTERICIDES SCHERING CORPORATION (US) 1980-11-04 US disclosed
US-4212860-A COUPLING THE PENTOFURANOSYL ONTO THE PROTECTED CYCLITOL SCHERING CORPORATION (US) 1980-07-15 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 (4 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-20090227680-A1 Amino Acid Derivatives OPRL1, OPRK1, AVPR1A LMNA 3623/4885SMN1; SMN2 1720/4885HTT 1869/4885
US-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN IDH3A, ACHE, SDHA LMNA 3329/4885SMN1; SMN2 1529/4885HTT 1291/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3293/4885SMN1; SMN2 3973/4885HTT 1626/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3293/4885SMN1; SMN2 3973/4885HTT 1626/4885

“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.