SCHEMBL1118622

SCHEMBL1118622

C=CCCCCCCCCS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.38
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TRPA1 O75762 2/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8077519 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL8072036 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL8005897 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL1607801 0.98 TSHR (0.44) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL1118529 0.98 TSHR (0.44) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL7819862 0.90
SCHEMBL19644547 0.80 TSHR (0.46) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL20972793 0.80 TSHR (0.46) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL6601699 0.79
SCHEMBL9185106 0.79 ALDH1A1 (0.50) TSHRALDH1A1LMNATP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
EP-2280918-A1 PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS Merck Patent GmbH (DE) 2011-02-09 EP disclosed
WO-2009141053-A1 PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS MERCK PATENT GMBH, (DE) 2009-11-26 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-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS ZRANB2, ORC3, IKZF2 TSHR 2163/4885MAPT 4545/4885ABCC4 1048/4885

“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.