SCHEMBL4543064

SCHEMBL4543064

O=C(NC(=O)N(S)c1cccc(OCCc2ccccc2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
MAPK14 Q16539 2/20 0.46
SLC2A1 P11166 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
EPHX2 P34913 2/20 0.40
LTA4H P09960 1/20 0.40
MAOB P27338 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL4375354 0.90 MAPK14 (0.49) MAPK14SLC2A1MEN1KMT2ANR1H4
SCHEMBL4366242 0.79 MAPK14 (0.43) MAPK14ALDH1A1MEN1KMT2A
SCHEMBL4365507 0.78 HPGD (0.53) SIRT2ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL4538535 0.77 ALDH1A1 (0.62) SIRT2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4373602 0.77 CYP1A2 (0.46) SIRT2SLC2A1ALDH1A1NR1H4MTNR1A
SCHEMBL4370528 0.76 TSHR (0.48) ALDH1A1MTNR1AMTNR1B
SCHEMBL4367775 0.74 MTNR1A (0.39) SIRT2SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL3977754 0.73 MRGPRX4 (0.44) SIRT2KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL4981370 0.72 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL4366066 0.72 NPC1 (0.43) SIRT2ALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US claimed
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
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT SIRT2 774/4885MAPK14 4434/4885SLC2A1 58/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 SIRT2 1118/4885MAPK14 4516/4885SLC2A1 53/4885

“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.