SCHEMBL18383333

SCHEMBL18383333

CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(CNC(C)(C)C)cc3)CC2)nc2ccccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 6/20 0.79
VDAC2 P45880 1/20 0.79
HIF1A Q16665 7/20 0.47
HTR7 P34969 6/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL18387792 0.95 SLC7A11 (0.76) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL18387789 0.93 SLC7A11 (0.81) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL14447223 0.92 SLC7A11 (0.75) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL13633718 0.90 SLC7A11 (0.89) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL4461445 0.90 SLC7A11 (0.83) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL21134755 0.90 SLC7A11 (0.76) SLC7A11VDAC2HIF1AHTR7ALDH1A1
SCHEMBL25793246 0.89 SLC7A11 (0.87) SLC7A11VDAC2HIF1AHTR7ALDH1A1
Erastin SCHEMBL4457820 0.88 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
Erastin SCHEMBL31385520 0.88 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA
Erastin SCHEMBL22213543 0.88 SLC7A11 (1.00) SLC7A11VDAC2HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344029-B2 Sigma-2 receptor ligand drug conjugates as antitumor compounds, methods of synthesis and uses thereof WASHINGTON UNIVERSITY (US) 2019-07-09 US disclosed
US-20190002457-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF WASHINGTON UNIVERSITY 2019-01-03 US disclosed
US-20170015660-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-01-19 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 (3 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-20170015660-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF SIGMAR1, TMEM97, AIFM2 SLC7A11 22/4885VDAC2 2807/4885HIF1A 1446/4885
US-20190002457-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF SIGMAR1, TMEM97, AIFM2 SLC7A11 22/4885VDAC2 2807/4885HIF1A 1446/4885
US-10344029-B2 Sigma-2 receptor ligand drug conjugates as antitumor compounds, methods of synthesis and uses thereof SIGMAR1, TMEM97, FFAR2 SLC7A11 2569/4885VDAC2 4750/4885HIF1A 4314/4885

“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.