SCHEMBL17844236

SCHEMBL17844236

COc1ccc(OCCCNc2c(-c3ccccc3)sn(C(C)(C)C)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
APAF1 O14727 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
GCGR P47871 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL17844212 0.92 MTNR1A (0.42) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL17844246 0.91 HCRTR1 (0.39) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL17844178 0.91 DRD4 (0.43) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL5186747 0.90 PTPN2 (0.37) DRD2DRD4DRD3POLBRECQL
SCHEMBL17844247 0.90 HTR1B (0.39) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL5184327 0.89 KDM4E (0.37) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL17844180 0.89 KDM4E (0.37) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5184340 0.88 GBA1 (0.35) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL17844223 0.87 DRD2 (0.41) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL17844244 0.87 MTNR1A (0.40) ALDH1A1NPSR1GAALMNAKDM4E

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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 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 (2 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 DRD2 4788/4885DRD4 4817/4885DRD3 4657/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 DRD2 4788/4885DRD4 4817/4885DRD3 4657/4885

“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.