SCHEMBL2863378

SCHEMBL2863378

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.53
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
FAAH O00519 6/20 0.45
LMNA P02545 2/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL2869100 0.87 NPC1 (0.46) ALDH1A1MAPK1RAB9ANPC1MAPT
SCHEMBL2856705 0.87 ALDH1A1 (0.50) PTGESALDH1A1MAPK1RAB9ANPC1
SCHEMBL2869478 0.87 SIRT2 (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2HPGD
SCHEMBL2869627 0.87 ALDH1A1 (0.52) PTGESALDH1A1MAPK1RAB9ANPC1
SCHEMBL2861919 0.86 ALDH1A1 (0.48) PTGESALDH1A1MAPK1RAB9ANPC1
SCHEMBL2858952 0.86 ALDH1A1 (0.52) PTGESALDH1A1MAPK1RAB9ANPC1
SCHEMBL14096252 0.86 HTT (0.61) ALDH1A1MAPK1RAB9ANPC1MAPT
SCHEMBL2869541 0.85 ALDH1A1 (0.48) PTGESALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL14096002 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1RAB9ANPC1MAPT
SCHEMBL2865313 0.83 ALDH1A1 (0.52) PTGESALDH1A1MAPK1RAB9ANPC1

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
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-7754844-B2 Polyarylene ether compound containing sulfonic acid group, composition containing same, and method for manufacturing those TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-07-13 US disclosed
EP-1561768-B1 POLYARYLENE ETHER COMPOUND CONTAINING SULFONIC ACID GROUP, COMPOSITION CONTAINING SAME, AND METHOD FOR MANUFACTURING THOSE TOYO BOSEKI (JP) 2009-09-30 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20060166048-A1 Polyarylene ether compound containing sulfonic acid group, composition containing same, and method for manufacturing those TOYO BOSEKI KABUSHIKI KAISHA (JP) 2006-07-27 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
EP-1561768-A1 POLYARYLENE ETHER COMPOUND CONTAINING SULFONIC ACID GROUP, COMPOSITION CONTAINING SAME, AND METHOD FOR MANUFACTURING THOSE Toyo Boseki Kabushiki Kaisha (JP) 2005-08-10 EP 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 PTGES 1050/4885ALDH1A1 176/4885MAPK1 3135/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC PTGES 1050/4885ALDH1A1 176/4885MAPK1 3135/4885

“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.