SCHEMBL4006668

SCHEMBL4006668

COC(=O)CCCCCCCCCCCS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 4/20 0.45
CA14 Q9ULX7 4/20 0.45
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KAT2B Q92831 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL9955449 1.00 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL4968131 0.91 TSHR (0.61) TSHRLMNAALDH1A1CA12CA14
SCHEMBL13762659 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL9165420 0.83 DGKA (0.36) TSHRLMNAALDH1A1MAPT
SCHEMBL13762658 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL10119664 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL1968935 0.82 TSHR (0.57) TSHRLMNAALDH1A1CA12CA14
SCHEMBL3502791 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL1286873 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL118000 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14

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 TSHR 3859/4885LMNA 4134/4885ALDH1A1 4657/4885

“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.