SCHEMBL2862288

SCHEMBL2862288

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
PPARA Q07869 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 1/20 0.51
PPARD Q03181 5/20 0.47
MAPT P10636 3/20 0.47
PPARG P37231 3/20 0.47
F10 P00742 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
CHRM4 P08173 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL2872165 0.90 NR1H4 (0.62) NR1H4ALDH1A1NPC1GAAPPARA
SCHEMBL13956782 0.82 MEN1 (0.69) NR1H4ALDH1A1NPC1GAAMEN1
SCHEMBL6607020 0.78 NR1H4 (0.62) NR1H4ALDH1A1NPC1GAAPPARA
SCHEMBL4373694 0.78 MEN1 (0.59) NR1H4ALDH1A1NPC1GAAMEN1
SCHEMBL13956868 0.77 MEN1 (0.56) NR1H4ALDH1A1NPC1MEN1KMT2A
SCHEMBL6607030 0.76 NR1H4 (0.62) NR1H4ALDH1A1NPC1GAAPPARA
SCHEMBL14096304 0.76 ALDH1A1 (0.50) NR1H4ALDH1A1NPC1MEN1KMT2A
SCHEMBL2862234 0.76 MEN1 (0.55) NR1H4ALDH1A1NPC1MEN1KMT2A
SCHEMBL14096292 0.75 MEN1 (0.62) NR1H4ALDH1A1NPC1GAAMEN1
SCHEMBL14096257 0.75 MEN1 (0.72) NR1H4ALDH1A1NPC1GAAMEN1

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 NR1H4 846/4885ALDH1A1 176/4885NPC1 179/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC NR1H4 846/4885ALDH1A1 176/4885NPC1 179/4885

“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.