SCHEMBL3590981

SCHEMBL3590981

O=C1CC(=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CASP1 P29466 1/20 0.39
F10 P00742 1/20 0.38
CTRB1 P17538 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL1202245 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL29617524 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL30253490 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL21838309 0.78 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL9009565 0.78 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL13327274 0.75 POLB (0.52) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL22397770 0.75 POLB (0.52) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL16424441 0.73 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL5497604 0.73 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7139454 0.73 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20060161007-A1 Oxazole and thiazole combinatorial libraries M MARTIN LENORE 2006-07-20 US disclosed
EP-1169311-A4 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2004-09-15 EP disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 EP disclosed
WO-2000056724-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 WO disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 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 (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-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES OXA1L, SPOUT1, BCAT2 KMT2A 2233/4885FABP5 3068/4885FABP7 2372/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 KMT2A 2233/4885FABP5 3068/4885FABP7 2372/4885

“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.