SCHEMBL19693293

SCHEMBL19693293

CCS(=O)(=O)NC1CCC(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMYD3 Q9H7B4 1/20 0.43
JAK1 P23458 2/20 0.41
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
SELL P14151 2/20 0.37
SELP P16109 2/20 0.37
SELE P16581 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL19465745 1.00 ALDH1A1 (0.51) ALDH1A1SMYD3JAK1PLGPLAT
SCHEMBL10179186 0.91 TSHR (0.43) ALDH1A1SMYD3JAK1PLGPLAT
SCHEMBL1679362 0.83
SCHEMBL28728308 0.81 TP53 (0.46) ALDH1A1SMYD3JAK1CA12CA7
SCHEMBL19704913 0.81 TP53 (0.46) ALDH1A1SMYD3JAK1CA12CA7
SCHEMBL3171363 0.80 ALDH1A1 (0.54) ALDH1A1PLGPLATLMNACA12
SCHEMBL15803197 0.80 ALDH1A1 (0.54) ALDH1A1PLGPLATLMNACA12
SCHEMBL17872669 0.78 SMYD3 (0.41) ALDH1A1SMYD3JAK1CA12CA7
SCHEMBL2879823 0.78 ALDH1A1 (0.46) ALDH1A1PLGPLATLMNACA12
SCHEMBL90846 0.76 ALDH1A1 (0.50) ALDH1A1PLGPLATLMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN disclosed
EP-3805215-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2021-04-14 EP disclosed
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-02-25 US disclosed
EP-3468966-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2020-08-05 EP disclosed
US-10683302-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2019-05-16 US disclosed
EP-3468966-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-04-17 EP disclosed
WO-2017214367-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-12-14 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 (5 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885SMYD3 120/4885JAK1 4005/4885
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885SMYD3 120/4885JAK1 4005/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885SMYD3 120/4885JAK1 4005/4885
US-10683302-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885SMYD3 120/4885JAK1 4005/4885
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885SMYD3 120/4885JAK1 4005/4885

“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.