SCHEMBL22300786

SCHEMBL22300786

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.64
CTSS P25774 4/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 3/20 0.54
CTSL P07711 1/20 0.54
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50

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
SCHEMBL30692461 1.00 REN (0.64) RENCTSSCTSBCTSKCTSL
SCHEMBL23447570 0.94 REN (0.57) RENCTSSCTSBCTSKCTSL
SCHEMBL30052641 0.93 REN (0.62) RENCTSSCTSBCTSKCTSL
SCHEMBL26835279 0.93 REN (0.62) RENCTSSCTSBCTSKCTSL
SCHEMBL22927767 0.93 REN (0.62) RENCTSSCTSBCTSKCTSL
SCHEMBL24084059 0.92 REN (0.64) RENCTSSCTSBCTSKCTSL
SCHEMBL20030538 0.92 CTSS (0.63) RENCTSSCTSBCTSKCTSL
SCHEMBL20216484 0.92 CTSS (0.63) RENCTSSCTSBCTSKCTSL
SCHEMBL11085637 0.91 REN (0.65) RENCTSSCTSBCTSKCTSL
SCHEMBL23446207 0.91 REN (0.60) RENCTSSCTSBCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 WO disclosed
EP-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2021109351-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 重庆阿普格雷生物科技有限公司 2021-06-10 WO disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed
US-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHONGQING UPGRA BIOLOGICAL SCI. & TECH., LTD. (CN) 2020-08-20 US disclosed
WO-2020155497-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2020-08-06 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-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, SLC11A2 REN 2506/4885CTSS 3433/4885CTSB 3820/4885

“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.