SCHEMBL20336263

SCHEMBL20336263

CCOC(=O)n1nc2c(c1NC(=O)C(C)(C)[Si](C)(C)C)CN(C(=O)Nc1c(Cl)cccc1Cl)C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGAT1 O75907 5/20 0.32
C5AR1 P21730 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
MAPK14 Q16539 1/20 0.30
NOS2 P35228 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
SCHEMBL20336264 0.88
SCHEMBL20336278 0.87 C5AR1 (0.36) NLRP3C5AR1
SCHEMBL20336275 0.85 NLRP3 (0.35) NLRP3MAPTL3MBTL1DGAT1ALDH1A1
SCHEMBL1983447 0.84 NLRP3 (0.34) NLRP3MAPTL3MBTL1DGAT1ALDH1A1
SCHEMBL1985201 0.84 NPC1 (0.37) NLRP3MAPTL3MBTL1ALDH1A1
SCHEMBL20942765 0.84 C5AR1 (0.30) C5AR1
SCHEMBL1984887 0.82 NLRP3 (0.39) NLRP3MAPTL3MBTL1DGAT1ALDH1A1
SCHEMBL1983233 0.82 LMNA (0.39) MAPTL3MBTL1ALDH1A1
SCHEMBL20336276 0.81
SCHEMBL18329486 0.81 C5AR1 (0.37) C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2019-08-22 US disclosed
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 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 (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-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 NLRP3 3204/4885MAPT 3265/4885L3MBTL1 2970/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 NLRP3 3204/4885MAPT 3265/4885L3MBTL1 2970/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 NLRP3 3204/4885MAPT 3265/4885L3MBTL1 2970/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 NLRP3 3204/4885MAPT 3265/4885L3MBTL1 2970/4885

“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.