SCHEMBL13328652

SCHEMBL13328652

CC(O)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.38
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMB5 P28074 1/20 0.32
ABL1 P00519 1/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL22687481 0.88 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL4420192 0.81 CYP3A4 (0.34) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4120935 0.80 CYP3A4 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31603745 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL2907725 0.79 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL29597926 0.78 SMN1; SMN2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2PSMB5
SCHEMBL27033462 0.77 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL10380441 0.77 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL2912786 0.77 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL29239690 0.76 MAOA (0.38) SMYD2CYP3A4HTTSMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
EP-3356344-B1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LTD (GB) 2022-11-16 EP disclosed
CN-108473464-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 CN disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed
US-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2022-04-07 US disclosed
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity ASTEX THERAPEUTICS LIMITED (GB) 2022-03-01 US disclosed
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2019-02-21 US disclosed
EP-3356344-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY Astex Therapeutics Ltd (GB) 2018-08-08 EP disclosed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 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 (4 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-20220106287-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 SMYD2 3947/4885CYP3A4 1227/4885HTT 352/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP SMYD2 3859/4885CYP3A4 456/4885HTT 3597/4885
US-20190055215-A1 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 SMYD2 3947/4885CYP3A4 1227/4885HTT 352/4885
US-11261171-B1 Isoindolinone inhibitors of the MDM2-P53 interaction having anticancer activity TP53, MDM2, TP53BP1 SMYD2 3947/4885CYP3A4 1227/4885HTT 352/4885

“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.