SCHEMBL1111598

SCHEMBL1111598

CCCC[N+]1(C)CCCC1.CN(C)CCCCS(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.35
BBOX1 O75936 4/20 0.35
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL1111657 0.87 BBOX1 (0.34) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL1111581 0.87 BBOX1 (0.35) DNM1BBOX1THRBTHRATSHR
SCHEMBL5011415 0.81 BBOX1 (0.46) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL24072018 0.80 BBOX1 (0.44) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL5009177 0.79 BBOX1 (0.47) BBOX1LMNACYP3A4TSHRTDP1
Sulfuric Acid SCHEMBL17102671 0.79 BBOX1 (0.47) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL1111653 0.79 LMNA (0.38) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL1111660 0.79 LMNA (0.38) BBOX1LMNACYP3A4TSHRTDP1
SCHEMBL1111634 0.79 BBOX1 (0.44) BBOX1LMNACYP3A4TSHRTDP1
Sulfuric Acid SCHEMBL21195064 0.78 BBOX1 (0.46) BBOX1LMNACYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2279192-A2 IONIC LIQUIDS Merck Patent GmbH (DE) 2011-02-02 EP disclosed
WO-2009152902-A2 IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-12-23 WO 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-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 DNM1 4201/4885BBOX1 4217/4885THRB 1511/4885

“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.