SCHEMBL4375338

SCHEMBL4375338

COc1ccc(COc2cccc(NC(=S)NC(=O)COc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 6/20 0.59
ALDH1A1 P00352 7/20 0.59
THRB P10828 1/20 0.59
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL4358770 0.92 NPC1 (0.64) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL4358802 0.91 ALDH1A1 (0.65) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL4366077 0.89 NPC1 (0.76) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL5839309 0.85 ALDH1A1 (0.59) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL4361956 0.85 ALDH1A1 (0.56) HPGDMAPTALDH1A1THRBMEN1
SCHEMBL4367673 0.84 MAPT (0.73) HPGDNPC1MAPTALDH1A1MEN1
SCHEMBL14096039 0.83 ALDH1A1 (0.67) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL4364698 0.83 MEN1 (0.68) HPGDNPC1MAPTALDH1A1MEN1
SCHEMBL13956731 0.83 MEN1 (0.60) HPGDNPC1MAPTALDH1A1THRB
SCHEMBL4370587 0.82 MEN1 (0.56) HPGDMAPTALDH1A1THRBMEN1

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 HPGD 3824/4885NPC1 107/4885MAPT 3454/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 HPGD 919/4885NPC1 886/4885MAPT 4038/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 HPGD 3743/4885NPC1 151/4885MAPT 3752/4885

“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.