SCHEMBL19507328

SCHEMBL19507328

CC(C)c1cc(C#N)cc(C(C)C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
ABCB1 P08183 8/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
TNF P01375 1/20 0.33
GPR35 Q9HC97 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL22014712 0.91 ALDH1A1 (0.34) ALDH1A1GLAABCB1MTNR1AMTNR1B
SCHEMBL20681199 0.84 GABRA1 (0.46) MTNR1AMTNR1BAAK1
SCHEMBL22014422 0.82 GPR35 (0.33) ALDH1A1GLAGPR35
SCHEMBL19475243 0.81 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL19507082 0.81 GABRA1 (0.46) MTNR1AMTNR1B
SCHEMBL23013322 0.80 DHODH (0.38) AAK1
SCHEMBL29691372 0.80 DHODH (0.38) AAK1
SCHEMBL20681237 0.79 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL28411067 0.79 THRA (0.40) MTNR1AMTNR1B
SCHEMBL17681850 0.79 ALDH1A1 (0.38) ALDH1A1GLAABCB1MTNR1AMTNR1B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-21 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
EP-3914583-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 EP disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 CN disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
EP-3817815-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO 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
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 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 (7 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-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885GLA 1543/4885ABCB1 255/4885
US-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 ALDH1A1 2864/4885GLA 3733/4885ABCB1 107/4885
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2176/4885GLA 1489/4885ABCB1 311/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP ALDH1A1 3482/4885GLA 48/4885ABCB1 2555/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2123/4885GLA 1833/4885ABCB1 282/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP ALDH1A1 3482/4885GLA 48/4885ABCB1 2555/4885
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2055/4885GLA 1544/4885ABCB1 307/4885

“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.