SCHEMBL23482800

SCHEMBL23482800

O=C(O)CCCNC(=O)CNC(=O)C(NC(=O)CN1C(=O)C=CC1=O)C(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCC(=O)NCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.40
▸ PTGS2 P35354 4/20 0.40
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ FABP4 P15090 1/20 0.32

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
SCHEMBL24872313 0.92 PTGS1 (0.44) PTGS1PTGS2ATMLMNATSHR
SCHEMBL24872323 0.92 PTGS1 (0.44) PTGS1PTGS2ATMLMNATSHR
SCHEMBL30396758 0.83 PTGS1 (0.53) PTGS1PTGS2ATMLMNAMEN1
SCHEMBL25940535 0.81 PTGS1 (0.41) PTGS1PTGS2ATMLMNAITGB3
SCHEMBL23451319 0.81 PTGS1 (0.50) PTGS1PTGS2ATMLMNAMAPT
SCHEMBL23482804 0.81 PTGS1 (0.50) PTGS1PTGS2ATMLMNAMAPT
SCHEMBL23482534 0.80 PTGS1 (0.52) PTGS1PTGS2ATMLMNAMAPT
SCHEMBL25130218 0.80 PTGS1 (0.52) PTGS1PTGS2ATMLMNAMAPT
SCHEMBL23451312 0.80 PTGS1 (0.52) PTGS1PTGS2ATMLMNAMAPT
SCHEMBL25939244 0.80 PTGS1 (0.52) PTGS1PTGS2ATMLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — 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 (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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B PTGS1 3773/4885PTGS2 3023/4885ATM 4443/4885

“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.

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