SCHEMBL5857009

SCHEMBL5857009

N#CC=C(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9099655 0.86 FFAR3 (0.38) LDHASRR
SCHEMBL9099659 0.86 FFAR3 (0.38) LDHASRR
SCHEMBL9097305 0.83 HDAC3 (0.41) LDHASRRTSHRALOX15HSD17B10
SCHEMBL9097309 0.83 HDAC3 (0.41) LDHASRRTSHRALOX15HSD17B10
SCHEMBL19066916 0.75
SCHEMBL19066917 0.75
SCHEMBL1762775 0.73 GAA (0.42) KDM4ETSHRHSD17B10
Malonic Acid SCHEMBL21815791 0.65
Malonic Acid SCHEMBL2321038 0.65
Malonic Acid SCHEMBL4306981 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982333-B2 Intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2006-01-03 US disclosed
US-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2004-04-01 US disclosed
US-6620937-B2 Annulation, cyclization UNIVERSITY OF PITTSBURGH 2003-09-16 US disclosed
US-6376676-B1 CAPROLACTAM COMPOUND UNIVERSITY OF PITTSBURGH 2002-04-23 US disclosed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 US disclosed
US-6252079-B1 CYCLIZATION OF CHEMICAL INTERMEDIATE; REACTING WITH ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2001-06-26 US disclosed
US-6239278-B1 Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2001-05-29 US disclosed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 US disclosed
US-6034243-A Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2000-03-07 US disclosed
WO-1999001456-A1 SYNTHESIS OF AND INTERMEDIATES FOR CAMPTOTHECINS UNIVERSITY OF PITTSBURGH (US) 1999-01-14 WO disclosed
US-5744605-A ANNULATION; CYCLIZATION UNIVERSITY OF PITTSBURGH (US) 1998-04-28 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 (2 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-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS LDHA 1405/4885SRR 2660/4885KDM4E 3912/4885
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS LDHA 1405/4885SRR 2660/4885KDM4E 3912/4885

“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.