SCHEMBL22014712

SCHEMBL22014712

CCc1cc(C#N)cc(C(C)C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
ABCB1 P08183 6/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TNF P01375 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL19507328 0.91 ALDH1A1 (0.37) ALDH1A1GLAMTNR1AMTNR1BABCB1
SCHEMBL21962157 0.81 PTGDR2 (0.35) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25138912 0.80 EGFR (0.33) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL23692165 0.78 GPR35 (0.31) ALDH1A1GPR35
SCHEMBL23692119 0.77 MTNR1A (0.35) ALDH1A1MTNR1AMTNR1B
SCHEMBL25139126 0.76 EGFR (0.30) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL20681199 0.76 GABRA1 (0.46) MTNR1AMTNR1B
SCHEMBL29691372 0.74 DHODH (0.38)
SCHEMBL23013322 0.74 DHODH (0.38)
SCHEMBL22014709 0.74 ABCC9 (0.32) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8

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 2 patents. 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
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 ALDH1A1 2123/4885GLA 1833/4885MTNR1A 1531/4885

“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.