SCHEMBL10106368

SCHEMBL10106368

CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
FDFT1 P37268 8/20 0.53
AKR1C3 P42330 1/20 0.52
NR3C1 P04150 2/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL10106170 0.88 MEN1 (0.62) POLBFDFT1AKR1C3MTNR1AMTNR1B
SCHEMBL4513715 0.82 POLB (1.00) POLB
SCHEMBL10106243 0.80 FDFT1 (0.56) FDFT1AKR1C3
SCHEMBL10106156 0.78 MTNR1A (0.76) FDFT1MTNR1AMTNR1B
SCHEMBL8970829 0.78 FDFT1 (0.55) FDFT1
SCHEMBL8977543 0.77 FDFT1 (0.55) FDFT1
SCHEMBL15218452 0.77 POLB (0.89) POLB
SCHEMBL12721426 0.77 CHRM2 (0.64) POLBAKR1C3MTNR1AMTNR1B
SCHEMBL5725404 0.77 POLB (0.66) POLBAKR1C3NR3C1
SCHEMBL4525627 0.76 ALDH1A1 (0.59) POLBAKR1C3

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
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP POLB 287/4885FDFT1 1987/4885AKR1C3 4693/4885

“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.