SCHEMBL19475238

SCHEMBL19475238

CC(C)c1cc(OC(F)(F)F)cc(C(C)C)c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.39
THRB P10828 5/20 0.39
PTGS2 P35354 5/20 0.38
PTGS1 P23219 4/20 0.38
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
EPHX1 P07099 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CYP2C9 P11712 1/20 0.34
GPR139 Q6DWJ6 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
SCHEMBL19507121 0.82 MTNR1A (0.36) ALDH1A1KCNK3KCNK9EPHX1NR1H4
SCHEMBL20698978 0.79 ATM (0.41) THRATHRB
SCHEMBL19507080 0.79 THRB (0.39) THRATHRBPTGS2
SCHEMBL19475117 0.79 RXRA (0.45) THRATHRBALDH1A1
SCHEMBL508558 0.78 PTGS2 (0.47) PTGS2PTGS1CYP2C9
SCHEMBL19475203 0.76 NLRP3 (0.41) THRATHRB
SCHEMBL19507057 0.76 CHRM2 (0.33) ALDH1A1FFAR4KCNK3KCNK9EPHX1
SCHEMBL19610490 0.76 CA1 (0.46) THRATHRBPTGS1ALDH1A1
SCHEMBL340962 0.76 THRB (0.43) THRATHRBPTGS2PTGS1ALDH1A1
SCHEMBL10212137 0.76 AKR1B1 (0.47) THRATHRBPTGS2PTGS1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445749-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-21 EP disclosed
EP-3445749-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-21 EP disclosed
US-20220387397-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-08 US disclosed
US-11447460-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-09-20 US disclosed
CN-113347970-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-09-03 CN disclosed
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 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 (3 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-20220387397-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 THRA 3544/4885THRB 3490/4885PTGS2 1387/4885
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 THRA 3734/4885THRB 3693/4885PTGS2 1327/4885
US-11447460-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 THRA 3697/4885THRB 3670/4885PTGS2 1352/4885

“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.