SCHEMBL4256629

SCHEMBL4256629

C[Sn](C)(C)c1ccc(C(=O)O)c(N2C(=O)CCC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MYC P01106 3/20 0.36
KMT2A Q03164 4/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL8908414 0.80 GAA (0.36) GAACA12CA1CA9TP53
SCHEMBL6887707 0.78 CA12 (0.48) GAACA12CA1CA9TP53
SCHEMBL317703 0.76 KEAP1 (0.43) GAACA12CA1CA9TP53
SCHEMBL31653832 0.76 KEAP1 (0.43) GAACA12CA1CA9TP53
SCHEMBL317626 0.76 CA12 (0.42) GAACA12CA1CA9TP53
SCHEMBL610788 0.75 CA12 (0.41) GAACA12CA1CA9TP53
SCHEMBL1464604 0.75 CA12 (0.41) GAACA12CA1CA9TP53
SCHEMBL10627311 0.74 MCL1 (0.42) GAACA12CA1CA9TP53
SCHEMBL27471377 0.74 MYC (0.51) GAATP53HPGDMYCKDM4E
SCHEMBL9596295 0.73 CA12 (0.39) GAACA12CA1CA9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929202-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF Memorial Sloan-Kettering Cancer Center (US) 2021-12-29 EP disclosed
EP-3149015-B1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-07-21 EP disclosed
US-20210070796-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2021-03-11 US disclosed
EP-2935335-B1 NEW POLYPEPTIDES AFFIBODY AB (SE) 2020-10-28 EP disclosed
US-10626137-B2 Minimal saponin analogues, synthesis and use thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-04-21 US disclosed
US-9957330-B2 Polypeptides AFFIBODY AB (SE) 2018-05-01 US disclosed
US-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-04-06 US disclosed
EP-3149015-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF Memorial Sloan-Kettering Cancer Center (US) 2017-04-05 EP disclosed
US-20160289337-A1 NEW POLYPEPTIDES AFFIBODY AB (SE) 2016-10-06 US disclosed
WO-2015184451-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-12-03 WO disclosed
EP-2935335-A1 NEW POLYPEPTIDES Affibody AB (SE) 2015-10-28 EP disclosed
US-9107965-B2 Polypeptides AFFIBODY AB (SE) 2015-08-18 US disclosed
WO-2014096163-A1 NEW POLYPEPTIDES AFFIBODY AB (SE) 2014-06-26 WO disclosed
US-8598113-B2 Polypeptides AFFIBODY AB (SE) 2013-12-03 US disclosed
US-20130005653-A1 POLYPEPTIDES AFFIBODY AB (SE) 2013-01-03 US disclosed
US-8247375-B2 Polypeptides AFFIBODY AB (SE) 2012-08-21 US disclosed
US-20090016957-A1 Polypeptides AFFIBODY AB (SE) 2009-01-15 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 (3 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-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF DDOST, SI, STT3A GAA 134/4885CA12 291/4885CA1 1123/4885
US-20210070796-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF DDOST, SI, STT3A GAA 134/4885CA12 291/4885CA1 1123/4885
US-10626137-B2 Minimal saponin analogues, synthesis and use thereof DDOST, SI, STT3A GAA 134/4885CA12 291/4885CA1 1123/4885

“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.