SCHEMBL5994671

SCHEMBL5994671

CCOC(=O)CCC(=S)N(N)Cc1ccc(C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.38
NAAA Q02083 1/20 0.36
ASAH1 Q13510 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
RORC P51449 1/20 0.36
STAT1 P42224 1/20 0.36
STAT5B P51692 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL6219070 0.83 SLC18A3 (0.39) STAT3NAAAASAH1ALDH1A1RORC
SCHEMBL5847415 0.75 ALOX15 (0.35) ALDH1A1
SCHEMBL11848763 0.75 RORC (0.50) NAAAASAH1ALDH1A1RORC
SCHEMBL27597418 0.74 CYP4Z1 (0.51) CYP4F2CYP4A11
SCHEMBL7755640 0.74 ALDH1A1 (0.53) ALDH1A1
SCHEMBL11822677 0.74 ALDH1A1 (0.53) ALDH1A1
SCHEMBL4081209 0.74 MEN1 (0.50) STAT3
SCHEMBL11829139 0.73 ALDH1A1 (0.51) ALDH1A1
SCHEMBL16839752 0.73 HTR2C (0.44) NAAAASAH1ALDH1A1RORCCYP4F2
Hydrochloric Acid SCHEMBL4081205 0.73 MEN1 (0.49) STAT3

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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed

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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT STAT3 668/4885NAAA 1307/4885ASAH1 2059/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 STAT3 762/4885NAAA 661/4885ASAH1 1728/4885

“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.