SCHEMBL5185121

SCHEMBL5185121

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2ccc[n+]([O-])c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.35
ALDH1A1 P00352 1/20 0.32
HTR1B P28222 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
RECQL P46063 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
TGM2 P21980 1/20 0.30

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
SCHEMBL5186747 0.86 PTPN2 (0.37) GPR84HTR1BL3MBTL1RECQLPTPN2
SCHEMBL17844247 0.86 HTR1B (0.39) GPR84ALDH1A1HTR1BL3MBTL1MEN1
SCHEMBL17844232 0.83 DRD2 (0.44) GPR84
SCHEMBL17844236 0.83 DRD2 (0.44) ALDH1A1MEN1KMT2ARECQL
SCHEMBL17844178 0.82 DRD4 (0.43) GPR84ALDH1A1L3MBTL1MEN1HTT
SCHEMBL5184340 0.82 GBA1 (0.35) GPR84ALDH1A1HTR1BL3MBTL1MEN1
SCHEMBL17844246 0.82 HCRTR1 (0.39) ALDH1A1MEN1HTTKMT2A
SCHEMBL17844230 0.82 DRD2 (0.46) GPR84MEN1HTTKMT2A
SCHEMBL17844214 0.82 CHRNB2 (0.44) ALDH1A1RECQL
SCHEMBL17844169 0.82 SCN9A (0.36) GPR84MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
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
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 GPR84 1526/4885ALDH1A1 1591/4885HTR1B 4501/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 GPR84 1526/4885ALDH1A1 1591/4885HTR1B 4501/4885

“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.