SCHEMBL3136631

SCHEMBL3136631

CCCCCOc1ccc(NC(=S)NC(=O)c2cncc(O)c2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.50
ALDH1A1 P00352 6/20 0.47
HTT P42858 1/20 0.47
SIRT1 Q96EB6 1/20 0.44
ALOX12 P18054 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CCR6 P51684 1/20 0.44
EPHX1 P07099 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3141228 0.91 NPC1 (0.53) S1PR1ALDH1A1HTTLMNAMAPT
SCHEMBL3150284 0.91 S1PR1 (0.52) S1PR1ALDH1A1HTTSIRT1ALOX12
SCHEMBL2865681 0.90 S1PR1 (0.49) S1PR1ALDH1A1HTTSIRT1ALOX12
SCHEMBL13478730 0.90 S1PR1 (0.51) S1PR1ALDH1A1HTTSIRT1ALOX12
SCHEMBL2864798 0.90 S1PR1 (0.52) S1PR1ALDH1A1HTTSIRT1ALOX12
SCHEMBL3141312 0.89 S1PR1 (0.48) S1PR1ALDH1A1HTTSIRT1ALOX12
SCHEMBL3144859 0.88 S1PR4 (0.49) S1PR1ALDH1A1HTTMAPK1MAPT
SCHEMBL2363409 0.88 ALDH1A1 (0.57) S1PR1ALDH1A1HTTALOX12NPSR1
SCHEMBL29359093 0.88 ALDH1A1 (0.57) S1PR1ALDH1A1HTTALOX12NPSR1
SCHEMBL2869508 0.87 ALDH1A1 (0.56) S1PR1ALDH1A1HTTALOX12NPSR1

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 17 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-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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
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
CN-101563076-A Combination therapy for treating hepatitis C infections ACHILLION PHARMACEUTICALS INC (US) 2009-10-21 CN 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
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

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 S1PR1 1687/4885ALDH1A1 235/4885HTT 4758/4885
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.