SCHEMBL4274515

SCHEMBL4274515

O=c1[nH]c(=O)n([C@@H]2CC(O)[C@H](CO)O2)cc1C#CCO

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALOX12 P18054 1/20 0.62
ADRA1A P35348 1/20 0.62
TK2 O00142 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL4274511 1.00 TK1 (0.66) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL13656455 1.00 TK1 (0.66) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL15740173 1.00 TK1 (0.66) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL10015654 0.91 TK1 (0.61) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL4264413 0.91 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL12047413 0.91 TK1 (0.65) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL2611657 0.91 TK1 (0.65) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL7268275 0.91 LMNA (0.67) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL5532799 0.91 TK1 (0.64) TK1LMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL1007186 0.91 TK1 (0.65) TK1LMNASMN1; SMN2ALOX12ADRA1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605144-B2 Enzyme catalyzed therapeutic compounds CELMED ONCOLOGY (USA), INC. (CA) 2009-10-20 US disclosed
EP-1200455-B1 ENZYME CATALYZED THERAPEUTIC ACTIVATION CELMED ONCOLOGY USA INC (CA) 2009-04-22 EP disclosed
US-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE CELMED ONCOLOGY (USA), INC. 2009-03-12 US disclosed
US-7462605-B2 Phosphoramidate compounds and methods of use CELMED ONCOLOGY (USA), INC. (CA) 2008-12-09 US disclosed
US-7419968-B1 Methods for treating therapy-resistant tumors CELMED ONCOLOGY (USA), INC. (CA) 2008-09-02 US disclosed
US-20070213307-A1 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. 2007-09-13 US disclosed
US-7138388-B2 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. (CA) 2006-11-21 US disclosed
EP-1359921-A4 METHODS TO TREAT AUTOIMMUNE AND INFLAMMATORY CONDITIONS NEWBIOTICS INC (US) 2006-09-06 EP disclosed
US-20040077588-A1 Enzyme catalyzed therapeutic compounds CELMED ONCOLOGY (USA), INC. (CA) 2004-04-22 US disclosed
US-6683061-B1 1-(2,3-DIHYDROXYTETRAHYDROFURAN-5-YL)-5-(4-BROMO-1,3-BUTADIENYL) -PYRIMIDINE-2,4(1H,3H)-DIONE; ANTIPROLIFERATION AGENT NEWBIOTICS, INC. 2004-01-27 US disclosed
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. (CA) 2002-10-17 US disclosed
US-20020147175-A1 Synergistic ECTA compositions NEWBIOTICS, INC. 2002-10-10 US disclosed
WO-2002056832-A2 METHODS TO TREAT AUTOIMMUNE AND INFLAMMATORY CONDITIONS NEWBIOTICS, INC. (US) 2002-07-25 WO disclosed
WO-2002039952-A2 SYNERGISTIC ECTA COMPOSITIONS NEWBIOTICS, INC. (US) 2002-05-23 WO disclosed
EP-1202749-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS Newbiotics, Inc. (US) 2002-05-08 EP disclosed
EP-1200130-A2 METHODS FOR TREATING THERAPY-RESISTANT TUMORS Newbiotics, Inc. (US) 2002-05-02 EP disclosed
EP-1200455-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION Newbiotics Inc. (US) 2002-05-02 EP disclosed
WO-2001007087-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
WO-2001007454-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
WO-2001007088-A2 METHODS FOR TREATING THERAPY-RESISTANT TUMORS NEWBIOTICS, INC. (US) 2001-02-01 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 (5 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-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE MTAP, TYMP, INPP5D TK1 92/4885LMNA 4722/4885SMN1; SMN2 2967/4885
US-20020147175-A1 Synergistic ECTA compositions ENTPD1, ENTPD2, ENPP1 TK1 18/4885LMNA 1897/4885SMN1; SMN2 3506/4885
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions SSB, ENPP2, TPMT TK1 891/4885LMNA 4451/4885SMN1; SMN2 3689/4885
US-20070213307-A1 Methods to treat autoimmune and inflammatory conditions SSB, ENPP2, TPMT TK1 891/4885LMNA 4451/4885SMN1; SMN2 3689/4885
US-20040077588-A1 Enzyme catalyzed therapeutic compounds RNASE1, QTRT1, FAP TK1 16/4885LMNA 2907/4885SMN1; SMN2 1692/4885

“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.