SCHEMBL3586609

SCHEMBL3586609

NC(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C(=O)O)cs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACHE P22303 1/20 0.38
EPHX2 P34913 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RY2 P41231 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL3586881 0.77 KMT2A (0.41) KMT2AFABP5FABP7HDAC1HDAC8
SCHEMBL569991 0.76 EPHX2 (0.50) KMT2AFABP5FABP7ACHEEPHX2
SCHEMBL3586605 0.74 KMT2A (0.50) KMT2AFABP5FABP7HDAC1HDAC8
SCHEMBL1449840 0.73 FABP5 (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL20639538 0.72 PPARG (0.33) KMT2AFABP5FABP7ACHECASP3
SCHEMBL27587697 0.72 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7121169 0.72 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31222070 0.72 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL26932742 0.71 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7880414 0.71 ANPEP (0.47) 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.