SCHEMBL2863114

SCHEMBL2863114

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2OCCN2CCOCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
HTR2A P28223 9/20 0.48
KCNH2 Q12809 3/20 0.48
HTR2C P28335 3/20 0.47
MET P08581 2/20 0.46
GRM4 Q14833 3/20 0.46
EPHX2 P34913 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL2863411 0.90 HTR2A (0.50) HTR2AKCNH2HTR2CGRM4EPHX2
SCHEMBL2871425 0.87 SMN1; SMN2 (0.49) KDRGRM4EPHX2THRB
SCHEMBL2856895 0.87 GRM4 (0.44) HTR2AHTR2CGRM4EPHX2THRB
SCHEMBL2865516 0.87 ALDH1A1 (0.47) KDRMET
SCHEMBL2867462 0.85 ALDH1A1 (0.47) GRM4THRB
SCHEMBL3141159 0.84 KDR (0.51) KDRHTR2AKCNH2HTR2CMET
SCHEMBL2862299 0.81 CHIA (0.49) KDRMET
SCHEMBL14096261 0.81 S1PR4 (0.47) KDRMET
SCHEMBL2869211 0.81 S1PR4 (0.47) KDRMET
SCHEMBL14096279 0.81 ALDH1A1 (0.49)

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 KDR 4417/4885HTR2A 3627/4885KCNH2 2564/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC KDR 4417/4885HTR2A 3627/4885KCNH2 2564/4885

“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.