SCHEMBL1793733

SCHEMBL1793733

CC(C)(C)c1ccc(C2CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.61
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 2/20 0.45
MAPT P10636 1/20 0.44
MMP2 P08253 1/20 0.43

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
SCHEMBL12614703 0.87 ALDH1A1 (0.48) HSD11B1ALDH1A1RAB9AKMT2AACHE
SCHEMBL27981545 0.85 MAPT (0.58) HSD11B1ALDH1A1RAB9AKMT2AACHE
SCHEMBL1792783 0.85 MAPT (0.58) HSD11B1ALDH1A1RAB9AKMT2AACHE
SCHEMBL6081340 0.84 USP2 (0.55) HSD11B1ALDH1A1RAB9AKMT2AACHE
SCHEMBL1790581 0.83 MAPT (0.58) HSD11B1ALDH1A1RAB9AKMT2AACHE
SCHEMBL1571372 0.83 ALDH1A1 (0.68) ALDH1A1RAB9AKMT2AACHEMAPT
SCHEMBL12614112 0.83 TRPA1 (0.55) ALDH1A1RAB9AKMT2AACHEMAPT
SCHEMBL1792200 0.82 ALDH1A1 (0.71) ALDH1A1RAB9AKMT2AACHEMAPT
SCHEMBL31173291 0.82 ALDH1A1 (0.71) ALDH1A1RAB9AKMT2AACHEMAPT
SCHEMBL28547385 0.78 FAAH (0.48) ALDH1A1RAB9AKMT2AMAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608269-B Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2022-05-06 CN disclosed
CN-112608269-A Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2021-04-06 CN disclosed
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-05-12 US disclosed
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-05-12 US disclosed
US-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-05-12 US disclosed
WO-2009146032-A2 METAL PORPHYRIN CATALYZED OLEFIN AZIRIDINATION WITH SULFONYL AZIDES UNIVERSITY OF SOUTH FLORIDA (US) 2009-12-03 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 (1 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-20110112288-A1 Metal Porphyrin Catalyzed Olefin Aziridination with Sulfonyl Azides PPOX, SOD1, AP1S1 HSD11B1 3404/4885ALDH1A1 1473/4885RAB9A 1892/4885

“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.