SCHEMBL3426124

SCHEMBL3426124

NC(=S)Nc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.59
NR1H4 Q96RI1 1/20 0.53
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
TYR P14679 1/20 0.49
TSHR P16473 1/20 0.49
TAS2R38 P59533 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL3973721 0.93 SIRT2 (0.60) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3977772 0.92 SIRT2 (0.56) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3979665 0.91 SIRT2 (0.55) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3975811 0.91 SIRT2 (0.55) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3980739 0.91 SIRT2 (0.55) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3982862 0.91 SIRT2 (0.55) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3973757 0.87 ALDH1A1 (0.53) SIRT2NR1H4ALDH1A1TP53TYR
SCHEMBL3977087 0.87 PRSS1 (0.54) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3977061 0.86 ALDH1A1 (0.51) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3978614 0.86 ALDH1A1 (0.51) SIRT2ALDH1A1TP53TYRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 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 (1 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 SIRT2 4238/4885NR1H4 331/4885ALDH1A1 261/4885

“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.