SCHEMBL21885820

SCHEMBL21885820

O=S(=O)(CC1(OC2CCCCO2)CC1)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 3/20 0.39

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
SCHEMBL21885845 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21826805 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21827581 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL29596225 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL25439531 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30825008 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21826862 0.77 CYP1A2 (0.48) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21826865 0.77 CYP1A2 (0.48) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL11949961 0.73 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL21826771 0.71 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
CN-113490668-A Compounds and compositions for treating diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2021-10-08 CN 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 (2 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 ALDH1A1 2722/4885MAPT 3893/4885LMNA 1979/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885MAPT 3893/4885LMNA 1979/4885

“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.