SCHEMBL4363341

SCHEMBL4363341

CCCCCOc1ccc(NC(=S)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
EPHX2 P34913 1/20 0.53
LMNA P02545 4/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MAPT P10636 2/20 0.51
TRPV1 Q8NER1 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
BRAF P15056 1/20 0.50
HSP90AA1 P07900 1/20 0.50
STAT3 P40763 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4371803 0.90 ALDH1A1 (0.64) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL4365757 0.89 ALDH1A1 (0.68) L3MBTL1ALDH1A1HTTLMNAMAPT
SCHEMBL4362115 0.88 SIRT2 (0.60) L3MBTL1ALDH1A1LMNAHDAC3HDAC1
SCHEMBL14095990 0.85 HTT (0.51) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL4369670 0.83 ALDH1A1 (0.53) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL4365852 0.83 ALDH1A1 (0.54) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL13454423 0.83 KMT2A (0.56) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL4362140 0.82 ALDH1A1 (0.58) ALDH1A1HTTLMNAHDAC3HDAC1
SCHEMBL13454436 0.82 KMT2A (0.55) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL13454369 0.82 KMT2A (0.55) ALDH1A1HTTLMNAMAPTSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738797-A Substituted aryl thioureas and related compounds, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-02-22 CN claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT L3MBTL1 253/4885ALDH1A1 310/4885HTT 927/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 L3MBTL1 168/4885ALDH1A1 221/4885HTT 811/4885

“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.