SCHEMBL22054928

SCHEMBL22054928

CC(C)CC(=O)NCCOCCOCCOCCOCCNC(=O)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.39
PSMB5 P28074 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18908729 1.00 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL23665082 1.00 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL18908667 1.00 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL16674308 0.98 KMT2A (0.53) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL24811372 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL23665081 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL18908673 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL24812501 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL25118082 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD
SCHEMBL24811371 0.93 KMT2A (0.50) KMT2AMEN1SMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-21 US disclosed
US-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-22 US disclosed
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 US disclosed
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 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 (4 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-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KMT2A 401/4885MEN1 3404/4885SMN1; SMN2 3934/4885
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof BRD4, BRD2, BET1 KMT2A 406/4885MEN1 3402/4885SMN1; SMN2 3861/4885
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KMT2A 477/4885MEN1 3377/4885SMN1; SMN2 3865/4885
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KMT2A 401/4885MEN1 3404/4885SMN1; SMN2 3934/4885

“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.