SCHEMBL19006931

SCHEMBL19006931

CCCC(C)(C)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
ERBB2 P04626 9/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL19007030 0.84 EGFR (0.62) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL17127693 0.77 EGFR (0.66) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL17127746 0.76 EGFR (0.68) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL4774229 0.69 L3MBTL1 (0.69) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL4764012 0.69 KMT2A (0.65) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL849945 0.68 KMT2A (0.59) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL3324450 0.68 KMT2A (0.59) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL12941833 0.68 AOC2 (0.56) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL24590292 0.67 PLCG1 (0.44) ALDH1A1
SCHEMBL4769268 0.67 HPGD (0.73) KMT2AMEN1L3MBTL1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 EGFR 1273/4885ERBB2 567/4885KMT2A 670/4885

“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.