SCHEMBL20914737

SCHEMBL20914737

CC(C)(O)c1cc(-c2ccccc2)cc(S(=O)(=O)CC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MMP2 P08253 2/20 0.43
MMP7 P09237 2/20 0.43
MMP14 P50281 2/20 0.43
HSD11B1 P28845 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.41
NPC1 O15118 2/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CFD P00746 1/20 0.36
F11 P03951 1/20 0.36
TPSB2 P20231 1/20 0.36
POLB P06746 1/20 0.36
IKBKB O14920 1/20 0.36
LARS1 Q9P2J5 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL19474971 0.80 CA2 (0.49) LOXL2IKBKB
SCHEMBL30406022 0.80 CA2 (0.49) LOXL2IKBKB
SCHEMBL20914735 0.79 ALDH1A1 (0.53) ALDH1A1HSD11B1NPC1RECQLRAB9A
SCHEMBL20914725 0.79 ALDH1A1 (0.49) ALDH1A1HSD11B1NPC1RECQLRAB9A
SCHEMBL20914730 0.78 ALDH1A1 (0.44) ALDH1A1HSD11B1NPC1RECQLRAB9A
SCHEMBL548413 0.73 RXRB (0.46) ALDH1A1MMP3
SCHEMBL2805655 0.71 ALDH1A1 (0.66) ALDH1A1MMP2MMP7MMP14HSD11B1
Hydrochloric Acid SCHEMBL19066539 0.69 ALDH1A1 (0.63) ALDH1A1MMP2MMP7MMP14HSD11B1
SCHEMBL20932971 0.68 RXRB (0.55)
SCHEMBL19507027 0.67 RXRA (0.51) ALDH1A1

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 2176/4885MMP2 3569/4885MMP7 1262/4885

“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.