SCHEMBL4369732

SCHEMBL4369732

CCCCCc1ccc(NC(=S)NC(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.64
SIRT1 Q96EB6 6/20 0.64
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
PLK1 P53350 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL4363690 0.88 ALDH1A1 (0.63) SIRT2SIRT1HTTMEN1KMT2A
SCHEMBL28670399 0.87 SIRT1 (0.63) SIRT2SIRT1TRPV1
SCHEMBL4362115 0.87 SIRT2 (0.60) SIRT2SIRT1SMN1; SMN2MEN1KMT2A
SCHEMBL16229451 0.86 SIRT1 (0.64) SIRT2SIRT1SMN1; SMN2ALDH1A1
SCHEMBL4368732 0.85 SIRT1 (0.56) SIRT2SIRT1HTTMEN1KMT2A
SCHEMBL4360377 0.85 SIRT2 (0.56) SIRT2SIRT1HTTSMN1; SMN2MEN1
SCHEMBL16229389 0.85 SIRT2 (0.86) SIRT2SIRT1ALDH1A1
Hydrochloric Acid SCHEMBL3718452 0.85 SIRT2 (0.67) SIRT2SIRT1MEN1KMT2APLK1
Hydrochloric Acid SCHEMBL3718449 0.85 SIRT2 (0.67) SIRT2SIRT1MEN1KMT2APLK1
SCHEMBL4371803 0.84 ALDH1A1 (0.64) HTTSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT SIRT2 774/4885SIRT1 767/4885HTT 927/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 SIRT2 4612/4885SIRT1 4376/4885HTT 3396/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 SIRT2 1118/4885SIRT1 1017/4885HTT 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.