SCHEMBL7108952

SCHEMBL7108952

NCC(CCS(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SLC6A6 P31641 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
APP P05067 1/20 0.42
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL14641422 0.85 PTGS1 (0.41) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL1638487 0.80 LMNA (0.38) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL14641423 0.80 PTGS1 (0.38) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL27959803 0.79
SCHEMBL2231969 0.78 TP53 (0.31) LMNASLC6A6CYP2C19BLM
SCHEMBL503109 0.78 TP53 (0.31) LMNASLC6A6CYP2C19BLM
SCHEMBL4895410 0.78 LMNA (0.36) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL2329583 0.78 PTGS1 (0.36) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL11131287 0.76 CA1 (0.39)
SCHEMBL3795029 0.76 PTGS1 (0.35) LMNASLC6A6CYP2C19BLMAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030095924-A1 Galenical formulations SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 US disclosed
US-6364944-B1 PYROLYSIS OF AN ORGANOSILICON COMPOUND TO PRODUCE A CARBON BLACK CONTAINING SILICON OXIDES AND SILICON CARBIDES CABOT CORPORATION 2002-04-02 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-20030095924-A1 Galenical formulations GALR1, GALR2, LGALS1 LMNA 759/4885SLC6A6 1041/4885CYP2C19 1173/4885

“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.