SCHEMBL20914735

SCHEMBL20914735

Cc1cc(C(C)(C)O)cc(S(=O)(=O)CC(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 4/20 0.34
RECQL P46063 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL20914730 0.84 ALDH1A1 (0.44) ALDH1A1NPC1LMNAKMT2AHSD11B1
SCHEMBL20914737 0.79 ALDH1A1 (0.43) ALDH1A1NPC1HSD11B1RECQLRAB9A
SCHEMBL20914725 0.79 ALDH1A1 (0.49) ALDH1A1NPC1HSD11B1RECQLRAB9A
SCHEMBL19507911 0.77 KDM4E (0.42) ALDH1A1LMNACA12CA1CA2
SCHEMBL29927235 0.77 KDM4E (0.42) ALDH1A1LMNACA12CA1CA2
SCHEMBL608774 0.70 ALDH1A1 (1.00) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL20914736 0.69 ALDH1A1 (0.41) ALDH1A1NPC1LMNAHSD11B1CA2
SCHEMBL4291310 0.68 ALDH1A1 (0.55) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL20914717 0.68 ALDH1A1 (0.50) ALDH1A1NPC1LMNAKMT2AHSD11B1
SCHEMBL18288154 0.68 PGK1 (0.43) ALDH1A1CA2PGK1PGK2HSD17B10

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 51/4885LMNA 1347/4885

“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.