SCHEMBL2869508

SCHEMBL2869508

CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MAPK1 P28482 1/20 0.56
S1PR1 P21453 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29359093 0.99 ALDH1A1 (0.57) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL2363409 0.99 ALDH1A1 (0.57) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL2864798 0.89 S1PR1 (0.52) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL22644882 0.89 S1PR1 (0.50) ALDH1A1MAPK1S1PR1MAPTLMNA
SCHEMBL3258142 0.88 S1PR1 (0.51) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL2866099 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1S1PR1MAPTKDM4E
SCHEMBL3150284 0.87 S1PR1 (0.52) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL3141228 0.87 NPC1 (0.53) ALDH1A1S1PR1HTTMAPTGAA
SCHEMBL3136631 0.87 S1PR1 (0.50) ALDH1A1MAPK1S1PR1HTTMAPT
SCHEMBL14096248 0.86 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTKDM4EGAA

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 22 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
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-04 US disclosed
EP-2091524-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS Achillion Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US 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 (3 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-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections HAVCR2, SLC10A1, CYP7A1 ALDH1A1 235/4885MAPK1 4242/4885S1PR1 1687/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885S1PR1 1409/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885S1PR1 1409/4885

“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.