SCHEMBL2866090

SCHEMBL2866090

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C(=O)N2CCN(C)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.47
KDR P35968 4/20 0.47
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
STS P08842 1/20 0.40
PTPN1 P18031 1/20 0.40
POLB P06746 1/20 0.39
MITF O75030 1/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL2867917 0.91 S1PR1 (0.42) METKDRALDH1A1MAPK1MAPT
SCHEMBL2862299 0.87 CHIA (0.49) METKDRALDH1A1MAPK1MAPT
SCHEMBL2862411 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTTDP1POLB
SCHEMBL2869530 0.84 S1PR4 (0.43) METKDRALDH1A1MAPK1MAPT
SCHEMBL14096261 0.82 S1PR4 (0.47) METKDRALDH1A1MAPK1MAPT
SCHEMBL2869211 0.82 S1PR4 (0.47) METKDRALDH1A1MAPK1MAPT
SCHEMBL14096279 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTTDP1S1PR4
SCHEMBL3150288 0.82 MET (0.44) METKDRALDH1A1MAPK1MAPT
SCHEMBL2866098 0.82 S1PR1 (0.43) METKDRALDH1A1MAPTS1PR1
SCHEMBL2865516 0.80 ALDH1A1 (0.47) METKDRALDH1A1MAPK1MAPT

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 MET 4145/4885KDR 4417/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MET 4145/4885KDR 4417/4885ALDH1A1 176/4885

“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.