SCHEMBL2866099

SCHEMBL2866099

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
POLB P06746 1/20 0.48

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
Morpholine SCHEMBL27761037 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL14096248 0.90 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL14096256 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL14096250 0.89 ALDH1A1 (0.64) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL2856925 0.89 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL2363409 0.88 ALDH1A1 (0.57) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL29359093 0.88 ALDH1A1 (0.57) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL2869508 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL3144859 0.87 S1PR4 (0.49) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL2868244 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1KDM4EPOLB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US 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-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20100093018-A1 CELLS EXPRESSING CHIMERIC PROTEINS AND ASSAYS USING SUCH CELLS ACHILLION PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093018-A1 CELLS EXPRESSING CHIMERIC PROTEINS AND ASSAYS USING SUCH CELLS ACHILLION PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-2152882-A2 CELLS EXPRESSING CHIMERIC PROTEINS AND ASSAYS USING SUCH CELLS Achillion Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
WO-2008134640-A2 CELLS EXPRESSING CHIMERIC NS4A PROTEINS OF HCV AND THEIR USE IN ASSAYS ACHILLION PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008076443-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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 (1 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 3135/4885MAPT 3157/4885

“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.