SCHEMBL31010055

SCHEMBL31010055

Nc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
EPHX2 P34913 1/20 0.49
FABP7 O15540 2/20 0.45
FABP5 Q01469 2/20 0.45
BCHE P06276 1/20 0.43
OPRD1 P41143 1/20 0.42
CASP3 P42574 1/20 0.42
PLAU P00749 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
PPID Q08752 1/20 0.41
PPIG Q13427 1/20 0.41

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
SCHEMBL2057615 1.00 KMT2A (0.55) KMT2AEPHX2FABP7FABP5BCHE
SCHEMBL14485271 0.90 KMT2A (0.59) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL3177417 0.89 KMT2A (0.62) KMT2AEPHX2FABP7FABP5OPRD1
Hydrochloric Acid SCHEMBL14485267 0.88 KMT2A (0.57) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL2744319 0.88 KMT2A (0.55) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL31652901 0.88 KMT2A (0.56) KMT2AEPHX2FABP7FABP5BCHE
SCHEMBL15948331 0.87 KMT2A (0.53) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL118108 0.86 KMT2A (0.56) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL525564 0.86 KMT2A (0.59) KMT2AEPHX2FABP7FABP5OPRD1
SCHEMBL30640436 0.86 KMT2A (0.59) KMT2AEPHX2FABP7FABP5OPRD1

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-20240409573-A1 CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2024-12-12 US disclosed
US-11993625-B2 Calicheamicin derivatives and antibody drug conjugates thereof PFIZER, INC. (US) 2024-05-28 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-20240409573-A1 CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF STT3A, CLSPN, STT3B KMT2A 3063/4885EPHX2 3031/4885FABP7 2324/4885
US-11993625-B2 Calicheamicin derivatives and antibody drug conjugates thereof STT3A, CLSPN, STT3B KMT2A 3063/4885EPHX2 3031/4885FABP7 2324/4885

“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.