SCHEMBL21886083

SCHEMBL21886083

CC(C)NS(=O)(=O)Cc1ncc(O)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL21886081 0.84 APLNR (0.39) NPSR1CA12CA1CA2CA9
SCHEMBL21886085 0.83 APLNR (0.42) CA1CA2ALDH1A1
SCHEMBL21885987 0.80 KMT2A (0.36) NPSR1MEN1KMT2AHPGDLMNA
SCHEMBL21163169 0.68 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL21886024 0.68 ALDH1A1 (0.37) NPSR1MEN1KMT2AHPGDALDH1A1
SCHEMBL21163177 0.68 ALDH1A1 (0.37) NPSR1MEN1KMT2AHPGDALDH1A1
SCHEMBL21885988 0.68 ALDH1A1 (0.36) MEN1KMT2ALMNAALDH1A1
SCHEMBL21163174 0.67 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1
SCHEMBL21162921 0.67 ALDH1A1 (0.37) NPSR1MEN1KMT2AHPGDALDH1A1
SCHEMBL18571259 0.67 ALDH1A1 (0.43) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 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 (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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 NPSR1 432/4885CA12 2106/4885CA1 3105/4885

“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.