SCHEMBL19296186

SCHEMBL19296186

COc1ccc(COC(=O)[C@H](Cc2ccccc2F)NC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.43
MDM4 O15151 3/20 0.43
TP53 P04637 3/20 0.43
TACR1 P25103 1/20 0.41
PTPN1 P18031 1/20 0.40
EPHX2 P34913 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL20597255 1.00 MDM2 (0.43) MDM2MDM4TP53TACR1PTPN1
SCHEMBL13928511 0.89 MDM2 (0.47) MDM2MDM4TP53PTPN1KMT2A
SCHEMBL233300 0.89 MDM2 (0.47) MDM2MDM4TP53PTPN1KMT2A
SCHEMBL30431821 0.86 MDM2 (0.49) MDM2MDM4TP53PTPN1TAS1R3
SCHEMBL38666359 0.85 MDM2 (0.53) MDM2MDM4TP53TAS1R3TAS1R1
SCHEMBL22444667 0.84 MDM2 (0.53) MDM2MDM4TP53PTPN1
SCHEMBL2251221 0.83 MDM2 (0.46) MDM2MDM4TP53PTPN1KMT2A
SCHEMBL20763341 0.83 PTPN1 (0.34) MDM2MDM4TP53PTPN1
SCHEMBL29633816 0.82 MDM4 (0.45) MDM2MDM4TP53PTPN1
SCHEMBL25259834 0.82 MDM2 (0.53) MDM2MDM4TP53PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-02-21 US disclosed
US-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-02-21 US disclosed
EP-3421463-A1 NEW TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-01-02 EP disclosed
WO-2017144015-A1 NEW TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF 江苏恒瑞医药股份有限公司 2017-08-31 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 (1 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-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF VIP, HABP2, FURIN MDM2 4629/4885MDM4 4633/4885TP53 3917/4885

“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.