SCHEMBL4366287

SCHEMBL4366287

CCCCOC(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
ALDH1A1 P00352 8/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 2/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 2/20 0.57
RECQL P46063 1/20 0.52
RNASEL Q05823 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL4363844 0.90 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4372355 0.87 MAPT (0.80) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4375509 0.87 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4359859 0.85 HPGD (0.67) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4362068 0.84 MAPT (0.64) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4362148 0.84 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4361413 0.83 ALDH1A1 (0.65) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4362279 0.82 MAPT (0.70) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4363264 0.82 ALDH1A1 (0.70) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4375207 0.82 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 10 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-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 MAPT 3454/4885CYP1A2 267/4885CYP2C9 225/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MAPT 4038/4885CYP1A2 1316/4885CYP2C9 1739/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885CYP1A2 187/4885CYP2C9 230/4885

“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.