SCHEMBL17844164

SCHEMBL17844164

CN1CCC(Nc2c(-c3ccccc3)sn(C(C)(C)C)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.38
KDM1A O60341 1/20 0.38
HTR6 P50406 1/20 0.37
SSTR4 P31391 1/20 0.37
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NSD2 O96028 1/20 0.35
HDAC1 Q13547 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
PIM1 P11309 2/20 0.34
DCLK1 O15075 1/20 0.34
PDPK1 O15530 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL17844237 0.86 PTPN1 (0.41) KDM1APOLBNSD2MAPK1IRAK1
SCHEMBL17844249 0.85 ACHE (0.50) MAPK1
SCHEMBL17844179 0.85 MEN1 (0.47) POLB
SCHEMBL17844153 0.84 MAPK8 (0.41) POLBMAPK1MAPK9
SCHEMBL17844250 0.83 KAT2B (0.41) KAT2BMAPK1
SCHEMBL17844171 0.82 MALT1 (0.47) KAT2BHTR2A
SCHEMBL3546550 0.81 LMNA (0.42) CYP1A2
SCHEMBL17844240 0.80 CHRM4 (0.39)
SCHEMBL17844145 0.80 HRH3 (0.38)
SCHEMBL17844243 0.78 PRKAA2 (0.43)

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 KAT2B 1529/4885KDM1A 781/4885HTR6 4759/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KAT2B 1529/4885KDM1A 781/4885HTR6 4759/4885

“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.