SCHEMBL14772016

SCHEMBL14772016

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 6/20 0.58
LMNA P02545 2/20 0.37
SLC22A6 Q4U2R8 2/20 0.37
APEX1 P27695 1/20 0.37
TSHR P16473 5/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
AKR1B1 P15121 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 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
SCHEMBL14772124 0.92 BBOX1 (0.58) BBOX1LMNASLC22A6APEX1TSHR
SCHEMBL16075145 0.81 PTGS1 (0.41) BBOX1LMNAPDE4A
SCHEMBL15559792 0.79 BBOX1 (0.58) BBOX1LMNASLC22A6MEN1KMT2A
Hydrochloric Acid SCHEMBL8110106 0.77 BBOX1 (0.73) BBOX1LMNASLC22A6TSHRNFKB1
SCHEMBL18088312 0.77 BBOX1 (0.40) BBOX1LMNAMEN1KMT2A
SCHEMBL14608930 0.77 ACHE (0.52) BBOX1LMNAALDH1A1MEN1KMT2A
SCHEMBL918271 0.77 BBOX1 (0.46) BBOX1LMNAPDE4A
SCHEMBL1109583 0.75 BBOX1 (0.67) BBOX1SLC22A6TSHRAKR1B1PPARG
SCHEMBL6238274 0.74 HTT (0.60) LMNAKMT2A
SCHEMBL6236738 0.74 HTT (0.60) LMNAKMT2A

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 5 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
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.