SCHEMBL2869211

SCHEMBL2869211

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 2/20 0.44
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.41
KDR P35968 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MET P08581 2/20 0.40
MEN1 O00255 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL14096261 0.91 S1PR4 (0.47) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL2868160 0.88 S1PR1 (0.50) S1PR1ALDH1A1MAPK1PTPN1SMN1; SMN2
SCHEMBL2868509 0.87 S1PR4 (0.44) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL2869530 0.87 S1PR4 (0.43) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL14096279 0.85 ALDH1A1 (0.49) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL2869627 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2HTTMAPT
SCHEMBL2868231 0.84 S1PR1 (0.45) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL2862299 0.84 CHIA (0.49) S1PR4S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL2858952 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL2865516 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2KMT2AKDR

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 7 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-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 S1PR4 2795/4885S1PR1 1409/4885S1PR3 1883/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC S1PR4 2795/4885S1PR1 1409/4885S1PR3 1883/4885

“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.