SCHEMBL30076573

SCHEMBL30076573

O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.76
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
BCL2L1 Q07817 1/20 0.62
MAPT P10636 6/20 0.59
AKR1C3 P42330 1/20 0.58
NR1H3 Q13133 2/20 0.51
RORC P51449 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1I2 O75469 1/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL15101483 1.00 MCL1 (0.76) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL30076604 0.88 MCL1 (0.86) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL15101435 0.88 MCL1 (0.86) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL15101448 0.88 MCL1 (0.76) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL15101434 0.88 MCL1 (0.76) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL18392354 0.88 MCL1 (0.76) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL18392356 0.86 MCL1 (1.00) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL1494846 0.85 MAPT (0.57) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL18392253 0.83 MCL1 (0.77) MCL1MEN1KMT2ABCL2L1MAPT
SCHEMBL18392255 0.82 MCL1 (1.00) MCL1MEN1KMT2ABCL2L1MAPT

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-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF UNIV MARYLAND (US) 2022-12-15 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-20220396549-A1 SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEROF MCL1, TP53, MYC MCL1 1/4885MEN1 733/4885KMT2A 1516/4885

“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.