SCHEMBL20550737

SCHEMBL20550737

O=C(O)NCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.52
PTGS2 P35354 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 3/20 0.50
MGLL Q99685 5/20 0.44
ALDH1A1 P00352 4/20 0.44
FAAH O00519 3/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL28641457 1.00 PTGS1 (0.52) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL22311027 0.91 PTGS1 (0.58) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL19992549 0.91 PTGS1 (0.58) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL16107093 0.90 PTGS1 (0.48) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL22807660 0.90 PTGS1 (0.54) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL24686272 0.90 HPGD (0.63) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL24687409 0.90 HPGD (0.63) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL24686927 0.90 HPGD (0.63) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL24687310 0.90 HPGD (0.63) PTGS1PTGS2SMN1; SMN2HPGDHTT
SCHEMBL24686268 0.90 HPGD (0.63) PTGS1PTGS2SMN1; SMN2HPGDHTT

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
CN-116059390-A Prodrugs of cytotoxic actives with enzymatically cleavable groups 拜耳制药股份公司 2023-05-05 CN disclosed
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 CN disclosed
US-20180318438-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-08 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-20180318438-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES KIF5B, KIF23, KIF2C PTGS1 3966/4885PTGS2 4341/4885SMN1; SMN2 1720/4885

“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.