SCHEMBL18908668

SCHEMBL18908668

CC(C)CC(=O)NCCNC(=O)CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.46
PSMB5 P28074 1/20 0.46
PTPN1 P18031 1/20 0.43
HTT P42858 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MEN1 O00255 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL19116931 0.91 TP53 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23665086 0.91 KMT2A (0.56) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18716191 0.91 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20340484 0.90 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.90 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18674311 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL22054929 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24047769 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL607171 0.87 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL1577892 0.87 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 US 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 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
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
WO-2017091673-A2 BIVALENT BROMODOMAIN INHIBTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-01 WO 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 (8 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 SMN1; SMN2 3934/4885TP53 609/4885HPGD 2777/4885
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof BRD4, BRD2, BET1 SMN1; SMN2 3861/4885TP53 605/4885HPGD 2721/4885
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 SMN1; SMN2 3865/4885TP53 700/4885HPGD 2814/4885
US-10010589-B2 TYMP, MTAP, TUBB6 SMN1; SMN2 599/4885TP53 325/4885HPGD 1325/4885
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 SMN1; SMN2 3934/4885TP53 609/4885HPGD 2777/4885
US-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 SMN1; SMN2 1134/4885TP53 581/4885HPGD 4004/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 SMN1; SMN2 1134/4885TP53 581/4885HPGD 4004/4885
US-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 SMN1; SMN2 2559/4885TP53 63/4885HPGD 4326/4885

“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.