SCHEMBL25067147

SCHEMBL25067147

CC(C)c1cc(-c2ccc3ccccc3c2)cc(C(C)C)c1CC(=O)N=S=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ ACMSD Q8TDX5 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ S1PR4 O95977 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34

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
SCHEMBL30791048 0.81 ACMSD (0.44) AKR1C3AKR1C2ACMSDPPARGPPARA
SCHEMBL20681207 0.81 ACMSD (0.44) AKR1C3AKR1C2ACMSDPPARGPPARA
SCHEMBL25138972 0.80 PTGER3 (0.43) AKR1C3AKR1C2ACMSDESR1ESR2
SCHEMBL20681162 0.75 MTNR1A (0.38) AKR1C3AKR1C2ACMSDPPARGPPARA
SCHEMBL30791033 0.75 MTNR1A (0.38) AKR1C3AKR1C2ACMSDPPARGPPARA
SCHEMBL25067030 0.73 LMNA (0.33) HDAC4HDAC2HDAC8
SCHEMBL25139155 0.73 ESR1 (0.43) ACMSDERN1ESR1ESR2S1PR4
SCHEMBL20681125 0.72 CYP11B1 (0.55) AKR1C3AKR1C2HSD17B1HSD17B2
SCHEMBL30791042 0.72 CYP11B1 (0.55) AKR1C3AKR1C2HSD17B1HSD17B2
SCHEMBL20698815 0.71 NLRP3 (0.51) ALOX5HDAC2

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 — — 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 AKR1C3 1656/4885AKR1C2 1659/4885ACMSD 4269/4885

“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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