SCHEMBL17787480

SCHEMBL17787480

C[N+](CCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O)(CCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)CCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.47
▸ MMP14 P50281 1/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ KEAP1 Q14145 1/20 0.38
▸ FTO Q9C0B1 7/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMAD3 P84022 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34

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
SCHEMBL14769388 0.94 ALB (0.47) ALBMMP14KCNH2KEAP1FTO
SCHEMBL17787479 0.88 ALB (0.53) ALBMMP14KCNH2KEAP1FTO
SCHEMBL3201232 0.85 ALB (0.49) ALBMMP14KCNH2FTOJAK2
SCHEMBL30366389 0.85 ALB (0.49) ALBMMP14KCNH2FTOJAK2
SCHEMBL18088318 0.84 KCNH2 (0.54) ALBMMP14KCNH2KEAP1FTO
SCHEMBL14769446 0.83 ALB (0.46) ALBMMP14KCNH2FTOJAK2
SCHEMBL14769386 0.77 ALB (0.47) ALBMMP14KCNH2FTOJAK2
SCHEMBL18088313 0.76 ALB (0.49) ALBMMP14KCNH2FTOJAK2
Fluorescein SCHEMBL29996358 0.75 FTO (0.52) ALBFTOCNR1MEN1MAPT
SCHEMBL21755733 0.74 ALB (0.58) ALBMMP14KCNH2KEAP1FTO

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
EP-4183773-A1 ZWITTERIONIC REAGENTS Siemens Healthcare Diagnostics Inc. (US) 2023-05-24 — — EP disclosed
US-9487480-B2 Zwitterionic reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-11-08 — — US disclosed
US-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 — — US disclosed
US-9353056-B2 — — 2016-05-31 — — 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-20160274094-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ ALB 254/4885MMP14 2016/4885KCNH2 3477/4885

“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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