SCHEMBL20914736

SCHEMBL20914736

CC(C)(O)c1ccc(S(=O)(=O)CC(N)=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA2 P00918 3/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.35
KCNN4 O15554 1/20 0.34
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 2/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
DDR1 Q08345 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL29927632 0.78 CA2 (0.41) CA2NR1I2HSD11B1EPHX2NR1H4
SCHEMBL19507908 0.78 CA2 (0.41) CA2NR1I2HSD11B1EPHX2NR1H4
SCHEMBL22013719 0.75 AKR1C3 (0.34) CA2KCNN4NR1I2HSD11B1EPHX2
SCHEMBL20914725 0.75 ALDH1A1 (0.49) ALDH1A1CA2NPC1NR1I2HSD11B1
SCHEMBL20914730 0.73 ALDH1A1 (0.44) ALDH1A1NPC1LMNAKCNN4NR1I2
SCHEMBL20698926 0.73 CA2 (0.34) CA2NR1I2HSD11B1EPHX2NR1H4
SCHEMBL28282284 0.73 LMNA (0.46) ALDH1A1NPC1LMNAHSD11B1
SCHEMBL20914717 0.72 ALDH1A1 (0.50) ALDH1A1CA2NPC1LMNAHSD11B1
SCHEMBL22011829 0.72 EPHX2 (0.35) CA2NR1I2HSD11B1EPHX2NR1H4
SCHEMBL26012999 0.72 ALDH1A1 (0.43) ALDH1A1LMNAHSD11B1ALOX5APFEN1

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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 2176/4885CA2 1296/4885NPC1 51/4885

“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.