SCHEMBL14278023

SCHEMBL14278023

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.42
▸ PTGS2 P35354 5/20 0.41
▸ EGFR P00533 2/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL14135646 0.85 KMT2A (0.46) PTGS2EGFRPTGS1KDM4E
SCHEMBL14278312 0.84 NLRP3 (0.40) NLRP3PTGS2EGFRSLC1A3SLC1A2
SCHEMBL14364363 0.83 NLRP3 (0.40) NLRP3PTGS2EGFRSLC1A3SLC1A2
SCHEMBL14302275 0.83 NLRP3 (0.40) NLRP3PTGS2EGFRSLC1A3SLC1A2
SCHEMBL14278280 0.80 CFTR (0.38) NAPRTKDM4E
SCHEMBL14277998 0.78 LARS1 (0.46) —
SCHEMBL14278001 0.78 ALDH1A1 (0.51) MAPT
SCHEMBL14278024 0.76 ALDH1A1 (0.46) KDM4EMAPT
SCHEMBL14307935 0.76 NR3C1 (0.31) —
SCHEMBL14278302 0.75 KDM1A (0.41) NAMPT

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NLRP3 1882/4885PTGS2 1059/4885EGFR 4188/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NLRP3 1882/4885PTGS2 1059/4885EGFR 4188/4885

“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.

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