SCHEMBL4004649

SCHEMBL4004649

COC(=O)CCCCCCCCCNS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA14 Q9ULX7 4/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA2 P00918 1/20 0.57
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
EPHX2 P34913 5/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL31522326 1.00 CA12 (0.57) CA12CA14CA7CA9CA2
SCHEMBL1471514 0.84 CYP1A2 (0.47) CA12CA14CA7CA9CA2
SCHEMBL20335051 0.84 CA12 (0.72) CA12CA14CA7CA9CA2
SCHEMBL31522321 0.80 CA12 (0.53) CA12CA14CA7CA9CA2
SCHEMBL31522312 0.80 GRIA1 (0.66) CA12CA14CA7CA9CA2
SCHEMBL4004131 0.80 FABP4 (0.56) TSHRALDH1A1LMNA
SCHEMBL4837449 0.80 FABP4 (0.56) TSHRALDH1A1LMNA
Methyl Tetradecanoate SCHEMBL31277688 0.80 CA12 (0.66) CA12CA14CA7CA9CA2
SCHEMBL31522346 0.80 FABP4 (0.56) TSHRALDH1A1LMNA
SCHEMBL2356628 0.80 TSHR (0.56) CA12CA14CA7CA9CA2

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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 CA12 3917/4885CA14 4044/4885CA7 2978/4885

“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.