SCHEMBL23668407

SCHEMBL23668407

CC(C)(C(=O)O)c1cncs1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19475226 0.78 CYP17A1 (0.35) CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL22285026 0.76 SLC6A3 (0.33) HDAC8ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30951918 0.75 HDAC3 (0.42) HDAC8CYP2C9CYP2C19KDM4ETDP1
SCHEMBL28373813 0.74 CYP2C19 (0.34) CYP2C19KDM4ETDP1
SCHEMBL19475219 0.74
Hydrochloric Acid SCHEMBL18641395 0.70 HDAC8 (0.37) HDAC8CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL23188113 0.70
SCHEMBL19475260 0.69 HDAC8 (0.33) HDAC8CYP17A1CYP3A4CYP2C9CYP2C19
SCHEMBL1492740 0.69 DAO (0.43) CYP2C19KMT2A
SCHEMBL8690413 0.68 CYP3A4 (0.38) CYP17A1CYP3A4CYP2C9CYP2C19KMT2A

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-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 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-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP HDAC8 1645/4885CYP17A1 1808/4885CYP3A4 3536/4885

“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.