SCHEMBL2858952

SCHEMBL2858952

CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 1/20 0.52
FAAH O00519 12/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGES O14684 1/20 0.46

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
SCHEMBL2869627 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL14096252 0.88 HTT (0.61) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2863378 0.86 PTGES (0.53) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2869541 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1FAAHSMN1; SMN2MAPT
SCHEMBL2859078 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2MAPTNPC1
SCHEMBL14096002 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2865313 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2856705 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2861919 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1FAAHSMN1; SMN2KDM4E
SCHEMBL2869211 0.83 S1PR4 (0.47) ALDH1A1MAPK1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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 ALDH1A1 176/4885MAPK1 3135/4885FAAH 378/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885FAAH 378/4885

“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.