SCHEMBL3426013

SCHEMBL3426013

NC(=S)NCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
BCHE P06276 7/20 0.58
CYP2D6 P10635 1/20 0.54
MAOB P27338 1/20 0.51
SPHK2 Q9NRA0 4/20 0.50
SPHK1 Q9NYA1 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL2749630 0.83 CYP4F2 (0.63) CYP4F2CYP4A11BCHECYP2D6MAOB
SCHEMBL29194716 0.81 KMT2A (0.64) KMT2AALDH1A1RAB9A
SCHEMBL17375533 0.81 MTNR1A (0.65) CYP4F2CYP4A11BCHECYP2D6MAOB
SCHEMBL17210775 0.81 CYP4F2 (0.69) CYP4F2CYP4A11BCHECYP2D6MAOB
SCHEMBL10960772 0.80 HPGD (0.63) CYP4F2CYP4A11BCHECYP2D6SPHK2
SCHEMBL525787 0.78 NPC1 (0.70) CYP2D6MAOBKMT2AALDH1A1MEN1
SCHEMBL5215124 0.78 BCHE (0.66) CYP4F2CYP4A11BCHECYP2D6MAOB
SCHEMBL3424427 0.77 KMT2A (0.58) CYP4F2CYP4A11BCHEMAOBKMT2A
SCHEMBL29683508 0.77 BCHE (0.64) CYP4F2CYP4A11BCHECYP2D6MAOB
SCHEMBL14032176 0.77 BCHE (0.64) CYP4F2CYP4A11BCHECYP2D6MAOB

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 8 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
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 CYP4F2 281/4885CYP4A11 750/4885BCHE 2692/4885

“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.