SCHEMBL14772124

SCHEMBL14772124

C[N+](C)(CCCC(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 7/20 0.58
LMNA P02545 2/20 0.37
SLC22A6 Q4U2R8 2/20 0.37
APEX1 P27695 1/20 0.37
TSHR P16473 4/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
APP P05067 1/20 0.35
AKR1B1 P15121 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
GPR84 Q9NQS5 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TLR2 O60603 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 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
SCHEMBL14772016 0.92 BBOX1 (0.58) BBOX1LMNASLC22A6APEX1TSHR
SCHEMBL918271 0.85 BBOX1 (0.46) BBOX1LMNAAPPPDE4A
SCHEMBL18088312 0.85 BBOX1 (0.40) BBOX1LMNAAPPMEN1KMT2A
SCHEMBL14608930 0.85 ACHE (0.52) BBOX1LMNAAPPALDH1A1MEN1
SCHEMBL15559792 0.83 BBOX1 (0.58) BBOX1LMNASLC22A6MEN1KMT2A
SCHEMBL22006989 0.81 BBOX1 (0.43) BBOX1APPPDE4A
SCHEMBL14608705 0.79 BBOX1 (0.37) BBOX1LMNAAPPMEN1KMT2A
SCHEMBL30760187 0.79 BBOX1 (0.40) BBOX1LMNATSHRAPPALDH1A1
SCHEMBL513001 0.79 LMNA (0.53) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL1864397 0.78 DNM1 (0.48) BBOX1LMNAAPPMEN1KMT2A

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
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-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 US disclosed
US-9353056-B2 2016-05-31 US disclosed
EP-2855545-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care Inc. (US) 2015-04-08 EP disclosed
WO-2013177506-A2 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-11-28 WO disclosed
US-20130065325-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-03-14 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 (2 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-20130065325-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ BBOX1 361/4885LMNA 699/4885SLC22A6 2739/4885
US-20160274094-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ BBOX1 361/4885LMNA 699/4885SLC22A6 2739/4885

“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.