SCHEMBL4494744

SCHEMBL4494744

N#CCCc1ccsc1CCCO

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL13613715 0.84 MEN1 (0.34) LTB4RMEN1KMT2A
SCHEMBL4501127 0.71 MEN1 (0.30) MEN1KMT2A
SCHEMBL4512133 0.69 MEN1 (0.38) MEN1KMT2A
SCHEMBL4501241 0.69 MEN1 (0.36) MEN1KMT2A
SCHEMBL18723624 0.69 LTB4R (0.43) LTB4R
SCHEMBL4511710 0.69 MEN1 (0.31) MEN1KMT2A
SCHEMBL30669416 0.68 LTB4R (0.44) LTB4RMEN1KMT2A
SCHEMBL4584887 0.67 SLC6A3 (0.37) LTB4RKMT2A
SCHEMBL20764816 0.67 CA2 (0.34) LTB4R
SCHEMBL5481203 0.67 ALDH1A1 (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 US disclosed
EP-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed
US-20040097485-A1 Antiinflammation agents TULARIK INC. 2004-05-20 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 (2 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA LTB4R 95/4885MEN1 4619/4885KMT2A 4609/4885
US-20040097485-A1 Antiinflammation agents TNF, NFATC1, NFKBIA LTB4R 95/4885MEN1 4619/4885KMT2A 4609/4885

“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.