SCHEMBL801052

SCHEMBL801052

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(=O)Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.42
MDM4 O15151 2/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 1/20 0.38

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
SCHEMBL15214489 0.87 TLR2 (0.47) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL10045807 0.85 HDAC1 (0.41) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL12938696 0.76 KMT2A (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL21848145 0.76 KMT2A (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL6795717 0.74 KMT2A (0.54) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL732417 0.73 KMT2A (0.53) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL8453044 0.73 KMT2A (0.56) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL1343999 0.73 KMT2A (0.53) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL4287694 0.73 KMT2A (0.53) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL28946743 0.73 CASP3 (0.49) CASP3EPHX2KMT2AMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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 (1 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 CASP3 599/4885EPHX2 4072/4885KMT2A 1663/4885

“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.