SCHEMBL12820051

SCHEMBL12820051

CS(=O)(=O)N1CCC(NI)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
EPHX2 P34913 3/20 0.44
KDM1A O60341 1/20 0.44
EPHX1 P07099 1/20 0.44
FABP6 P51161 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12820441 0.88 TP53 (0.42) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL21556645 0.88 TP53 (0.42) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL5344959 0.80 TP53 (0.50) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL19091357 0.80 CA1 (0.42) TSHRL3MBTL1
SCHEMBL29259766 0.78 TP53 (0.48) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL4919816 0.75 EPHX2 (0.65) TP53EPHX2EPHX1LMNATSHR
SCHEMBL774350 0.75 ADH1B (0.50) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12448115 0.75 LMNA (0.47) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12404039 0.75 TP53 (0.46) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL774349 0.75 TP53 (0.46) TP53EPHX2KDM1AEPHX1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed
EP-3848363-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND Medshine Discovery Inc. (CN) 2021-07-14 EP disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
WO-2012126084-A1 HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS PHARMASCIENCE INC. (CA) 2012-09-27 WO disclosed
WO-2011035417-A1 HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES AEGERA THERAPEUTICS INC. (CA) 2011-03-31 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TP53 3681/4885EPHX2 3988/4885KDM1A 3551/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 TP53 3681/4885EPHX2 3988/4885KDM1A 3551/4885

“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.