SCHEMBL4004597

SCHEMBL4004597

CS(=O)(=O)CCCCCCCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
GPR84 Q9NQS5 8/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL21616868 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9340855 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
SCHEMBL2567545 1.00 TSHR (0.57) TSHRLMNANFKB1PMP22GPR84
Hydrochloric Acid SCHEMBL9954751 0.98 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL17653549 0.98 LMNA (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1848872 0.90 LMNA (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1119140 0.88 PPARG (0.61) TSHRLMNAPPARGPPARDPPARA
SCHEMBL1119147 0.88 PPARG (0.61) TSHRLMNAPPARGPPARDPPARA
Pimelic Acid SCHEMBL15353467 0.82 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL28965375 0.82 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84

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 4134/4885NFKB1 563/4885

“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.