SCHEMBL30243539

SCHEMBL30243539

COCCN(C)Cc1cccc(S(=N)(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL25032673 0.83 LTA4H (0.41) HTR6MAOBPARP1TSHRSMN1; SMN2
SCHEMBL21893020 0.80 NOS1 (0.44) HTR6PARP1TSHRNPC1TNF
SCHEMBL13362520 0.74 TSHR (0.45) HDAC6MAOBPARP1TSHRBCHE
SCHEMBL14174811 0.74 CYP2D6 (0.54) HDAC6MAOBTSHRACHEHTR1D
SCHEMBL13232635 0.73 TAAR1 (0.51) HDAC6MAOBTSHRNPC1GRM2
SCHEMBL14614616 0.73 PYCR1 (0.56) TSHRBCHEACHESMN1; SMN2CARM1
SCHEMBL615516 0.71 TSHR (0.65) MAOBTSHRSMN1; SMN2HTR1DHTR1B
SCHEMBL30770380 0.71 NLRP3 (0.40) —
SCHEMBL13336035 0.71 KDM4E (0.43) HDAC6MAOBPARP1TSHRBCHE
SCHEMBL2772582 0.70 TSHR (0.44) HDAC6MAOBPARP1TSHRHTR1D

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 — — 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HDAC6 624/4885HTR6 1948/4885MAOB 2753/4885

“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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