SCHEMBL20914730

SCHEMBL20914730

CC(C)(O)c1cc(F)cc(S(=O)(=O)CC(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.41
HSD11B1 P28845 5/20 0.34
KMT2A Q03164 1/20 0.33
LGMN Q99538 1/20 0.33
DDR1 Q08345 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.31
KCNN4 O15554 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ATM Q13315 1/20 0.31
CNR1 P21554 1/20 0.31
KCNH2 Q12809 1/20 0.31
AR P10275 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL20914735 0.84 ALDH1A1 (0.53) ALDH1A1NPC1HSD11B1KMT2ARECQL
SCHEMBL20914737 0.78 ALDH1A1 (0.43) ALDH1A1NPC1HSD11B1RECQLRAB9A
SCHEMBL19475030 0.78 PTGS2 (0.42) HSD11B1LMNACYP2C19CYP2C9
SCHEMBL20914725 0.78 ALDH1A1 (0.49) ALDH1A1NPC1HSD11B1RECQLRAB9A
SCHEMBL20914736 0.73 ALDH1A1 (0.41) ALDH1A1NPC1HSD11B1DDR1NR1I2
SCHEMBL20914717 0.72 ALDH1A1 (0.50) ALDH1A1NPC1HSD11B1KMT2ALMNA
SCHEMBL24030011 0.69 MEN1 (0.37) HSD11B1KMT2AAR
SCHEMBL318939 0.69 CA12 (0.41) HSD11B1KMT2AKCNN4
SCHEMBL20692014 0.69 PTGS2 (0.31) HSD11B1
SCHEMBL12284893 0.69 ALDH1A1 (0.67) ALDH1A1NPC1HSD11B1KMT2A

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 2176/4885NPC1 51/4885HSD11B1 397/4885

“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.