SCHEMBL30076571

SCHEMBL30076571

CN(C)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 1.00
CYP2C9 P11712 2/20 0.66
HSD17B10 Q99714 2/20 0.66
BCL2L1 Q07817 4/20 0.55
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
ATIC P31939 1/20 0.54

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
SCHEMBL18392411 1.00 MCL1 (1.00) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL8112005 0.81 MCL1 (0.68) MCL1CYP2C9HSD17B10BCL2L1HPGD
SCHEMBL1808593 0.81 MCL1 (0.73) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL28981270 0.80 MCL1 (0.66) MCL1CYP2C9HSD17B10HPGDTSHR
SCHEMBL7234615 0.80 MCL1 (0.71) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL590115 0.80 MCL1 (0.71) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL589651 0.80 MCL1 (1.00) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL29539793 0.80 MCL1 (0.71) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL2789013 0.78 MCL1 (0.69) MCL1CYP2C9HSD17B10BCL2L1THRB
SCHEMBL5515234 0.75 MCL1 (0.59) MCL1TSHR

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 1/4885CYP2C9 4854/4885HSD17B10 4280/4885

“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.