Sugi Predict

Sugi Predict / Compounds / SCHEMBL19475350

SCHEMBL19475350

SCHEMBL19475350

COc1ccc(Cn2c(CCCOCc3ccccc3)nc3cnc4cc(Br)ccc4c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 8/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TLR8 Q9NR97 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL22017902 0.90 PIK3CD (0.47) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL19503120 0.90 TLR7 (0.49) TLR7TLR8KMT2AMEN1
SCHEMBL19475179 0.85 TLR7 (0.64) TLR7TLR8
SCHEMBL28900436 0.84 TLR7 (0.42) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL30598827 0.84 TLR7 (0.42) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL19475365 0.84 TLR7 (0.42) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL21557871 0.82 PDE4A (0.46) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL30598857 0.82 PDE4A (0.46) TLR7TDP1L3MBTL1MAPTTP53
SCHEMBL20969995 0.81 TLR8 (0.35) TLR7TDP1L3MBTL1LMNAMMP1
SCHEMBL21566256 0.79 TLR7 (0.39) TLR7TDP1L3MBTL1MAPTTP53

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
CN-109071535-B NLRP3 modulators 先天肿瘤免疫公司 2021-10-08 — — CN disclosed
US-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 — — US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 — — US disclosed
US-10556903-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2020-02-11 — — US disclosed
US-20190127367-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2019-05-02 — — US disclosed
WO-2017184746-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 — — WO disclosed
WO-2017184746-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 — — 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 (4 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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-10556903-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TLR7 161/4885TDP1 302/4885L3MBTL1 845/4885
US-20190127367-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TLR7 207/4885TDP1 589/4885L3MBTL1 1679/4885

“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.