SCHEMBL14302275

SCHEMBL14302275

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGS1 P23219 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
SCHEMBL14278023 0.83 NLRP3 (0.42) NLRP3PTGS2EGFRKDM4ESLC1A3
SCHEMBL14278312 0.81 NLRP3 (0.40) NLRP3PTGS2HSD17B10EGFRKDM4E
SCHEMBL14364363 0.80 NLRP3 (0.40) NLRP3PTGS2EGFRKDM4ESLC1A3
SCHEMBL14302072 0.77 ALDH1A1 (0.46) KDM4EALDH1A1TSHRMAPTGAA
SCHEMBL14302082 0.76 METAP2 (0.34) HSD17B10ALDH1A1TSHRGAA
SCHEMBL14302279 0.75 HTR6 (0.35) —
SCHEMBL14301679 0.74 POLB (0.44) —
SCHEMBL14302277 0.73 STS (0.41) HSD17B10KDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL22692755 0.70 PTGS2 (0.52) NLRP3PTGS2EGFRSLC1A3SLC1A2
SCHEMBL15625451 0.68 PTGS2 (0.56) NLRP3PTGS2EGFRSLC1A3SLC1A2

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 1 patent. 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

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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 NLRP3 1882/4885PTGS2 1059/4885HSD17B10 465/4885

“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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