SCHEMBL2866261

SCHEMBL2866261

CCCCCOc1ccc(NC(=S)NC(=O)c2ccno2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR5 Q9H228 1/20 0.48
HTR2A P28223 1/20 0.47
MAPT P10636 1/20 0.43
S1PR2 O95136 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
MET P08581 4/20 0.41
KDR P35968 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
AXL P30530 1/20 0.41
HTT P42858 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2861865 0.88 S1PR1 (0.52) S1PR1HTR2AMAPTALDH1A1HTT
SCHEMBL4368032 0.85 MAPT (0.53) MAPTALDH1A1MAPK1HTT
SCHEMBL2865080 0.84 S1PR4 (0.48) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL2862200 0.84 MEN1 (0.48) MAPTALDH1A1MAPK1
SCHEMBL2863372 0.84 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL13175807 0.82 ALDH1A1 (0.48) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL13175621 0.81 S1PR4 (0.44) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL13175801 0.81 S1PR4 (0.44) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL13956824 0.81 MAPT (0.61) S1PR1S1PR3S1PR4S1PR5MAPT
SCHEMBL2869211 0.81 S1PR4 (0.47) S1PR1S1PR3S1PR4S1PR5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN claimed
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC S1PR1 1409/4885S1PR3 1883/4885S1PR4 2795/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC S1PR1 1409/4885S1PR3 1883/4885S1PR4 2795/4885

“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.