SCHEMBL4358770

SCHEMBL4358770

COc1cccc(COc2cccc(NC(=S)NC(=O)COc3ccccc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.59
THRB P10828 1/20 0.59
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 3/20 0.56
RAB9A P51151 2/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL4375338 0.92 HPGD (0.61) NPC1ALDH1A1HPGDTHRBCRHBP
SCHEMBL4358802 0.91 ALDH1A1 (0.65) NPC1ALDH1A1HPGDTHRBMAPT
SCHEMBL4366077 0.91 NPC1 (0.76) NPC1ALDH1A1HPGDTHRBCRHBP
SCHEMBL5839309 0.85 ALDH1A1 (0.59) NPC1ALDH1A1HPGDTHRBMAPT
SCHEMBL14096039 0.83 ALDH1A1 (0.67) NPC1ALDH1A1HPGDTHRBMAPT
SCHEMBL13956731 0.83 MEN1 (0.60) NPC1ALDH1A1HPGDTHRBCRHBP
SCHEMBL4361956 0.83 ALDH1A1 (0.56) ALDH1A1HPGDTHRBMAPTMEN1
SCHEMBL4370587 0.82 MEN1 (0.56) ALDH1A1HPGDTHRBMAPTMEN1
SCHEMBL4368072 0.81 MEN1 (0.68) NPC1ALDH1A1HPGDTHRBMAPT
SCHEMBL4371912 0.81 ALDH1A1 (0.67) NPC1ALDH1A1HPGDTHRBMAPT

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 11 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
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (3 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 NPC1 107/4885ALDH1A1 310/4885HPGD 3824/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 NPC1 886/4885ALDH1A1 2930/4885HPGD 919/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 NPC1 151/4885ALDH1A1 221/4885HPGD 3743/4885

“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.