SCHEMBL17921183

SCHEMBL17921183

CC(=O)C(CCCCCc1ccc(-c2ccc(Br)s2)s1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL17921161 0.99 LMNA (0.33) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL17921142 0.95 L3MBTL1 (0.33) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL16511775 0.88 MMP9 (0.38) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL16512858 0.87 MMP9 (0.36) LMNARXFP1HPGDPOLBL3MBTL1
SCHEMBL17921182 0.87 ALDH1A1 (0.36) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL17921155 0.85 ALDH1A1 (0.34) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL17921184 0.84 ALDH1A1 (0.45) LMNAALDH1A1HPGDPOLBL3MBTL1
SCHEMBL17921179 0.84 S1PR2 (0.34) ALDH1A1
SCHEMBL16511318 0.83 MMP9 (0.36) LMNARXFP1POLBL3MBTL1KDM4E
SCHEMBL17921187 0.83 DPP4 (0.45) LMNAALDH1A1HPGDPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — 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 (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-20160200673-A1 Antibacterial Compounds Q6ZSR9, MRPL21, XDH LMNA 3247/4885ALDH1A1 2944/4885PRNP 3025/4885

“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.

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