SCHEMBL17821424

SCHEMBL17821424

NCCOCCOCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.55
▸ BRD4 O60885 6/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL1B P01584 1/20 0.54
▸ IKZF1 Q13422 1/20 0.54
▸ DDB1 Q16531 1/20 0.54
▸ IKZF3 Q9UKT9 1/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ RIPK2 O43353 1/20 0.52
▸ MAP1LC3B Q9GZQ8 1/20 0.51

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
SCHEMBL23772826 1.00 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL20913681 1.00 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL24778362 0.98 CRBN (0.57) CRBNBRD4TNFIL1BIKZF1
Hydrochloric Acid SCHEMBL23037363 0.97 CRBN (0.56) CRBNBRD4TNFIL1BIKZF1
Hydrochloric Acid SCHEMBL31065058 0.97 CRBN (0.56) CRBNBRD4TNFIL1BIKZF1
SCHEMBL19438857 0.93 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL19438825 0.93 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL20913661 0.93 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL30577345 0.93 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
Trifluoroacetic Acid SCHEMBL28907388 0.93 CRBN (0.53) CRBNBRD4TNFIL1BIKZF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035780-A1 AKR1C3 TARGETED HETEROBIFUNCTIONAL SMALL MOLECULE PROTEOLYSIS TARGETING CHIMERAS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2024-02-15 — — WO disclosed
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-08-19 — — US disclosed
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 — — US disclosed
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 — — US disclosed
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-10-11 — — US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 — — US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 — — US disclosed
EP-3230279-A1 FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Massachusetts Institute of Technology (US) 2017-10-18 — — EP disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
WO-2016094688-A1 FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-16 — — 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 (5 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-20160168165-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 CRBN 263/4885BRD4 633/4885TNF 3881/4885
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 CRBN 263/4885BRD4 633/4885TNF 3881/4885
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 CRBN 263/4885BRD4 633/4885TNF 3881/4885
US-10017520-B2 Myc modulators and uses thereof MYC, MYCBP, MYCBP2 CRBN 263/4885BRD4 633/4885TNF 3881/4885
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders SMARCC1, SMARCC2, SMARCA2 CRBN 393/4885BRD4 75/4885TNF 4435/4885

“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.

Send feedback