SCHEMBL2861865

SCHEMBL2861865

CCCCCOc1ccc(NC(=S)NC(=O)c2ccno2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.52
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
HTR2A P28223 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 2/20 0.41

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
SCHEMBL2866261 0.88 S1PR1 (0.48) S1PR1ALDH1A1HTTHTR2ATHRA
SCHEMBL2861336 0.85 S1PR1 (0.52) S1PR1ALDH1A1HTTTHRATHRB
SCHEMBL2865408 0.85 S1PR1 (0.49) S1PR1ALDH1A1HTTHTR2ATHRA
SCHEMBL2909594 0.83 S1PR1 (0.50) S1PR1ALDH1A1HTTMAPT
SCHEMBL2915312 0.82 S1PR1 (0.51) S1PR1ALDH1A1HTTTHRATHRB
SCHEMBL4368032 0.82 MAPT (0.53) ALDH1A1HTTMAPTLMNAALOX12
SCHEMBL2864798 0.82 S1PR1 (0.52) S1PR1ALDH1A1HTTTHRATHRB
SCHEMBL4357817 0.82 MAPT (0.58) S1PR1ALDH1A1HTTMAPT
SCHEMBL2363409 0.82 ALDH1A1 (0.57) S1PR1ALDH1A1HTTMAPTLMNA
SCHEMBL2868160 0.82 S1PR1 (0.50) S1PR1ALDH1A1HTTTHRATHRB

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 19 patents. 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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
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-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
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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-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 (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 S1PR1 1409/4885ALDH1A1 176/4885HTT 1526/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC S1PR1 1409/4885ALDH1A1 176/4885HTT 1526/4885

“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.