SCHEMBL3423632

SCHEMBL3423632

CCCCc1ccc(NC(N)=S)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.54
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP4F11 Q9HBI6 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PANK3 Q9H999 1/20 0.42

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
SCHEMBL6829715 0.86 SKP2 (0.53) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL21003290 0.86 SKP2 (0.53) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL27660551 0.84 SKP2 (0.43) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL4393968 0.81 ESR1 (0.51) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL29715987 0.81 ESR1 (0.51) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL11405177 0.79 SKP2 (0.46) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL9979434 0.79 PLK1 (0.52) SKP2MEN1KMT2A
SCHEMBL16083944 0.79 CYP3A4 (0.48) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL23092997 0.78 SKP2 (0.58) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14831584 0.78 GAA (0.51) SKP2CYP3A4CYP2D6CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SKP2 804/4885CYP3A4 189/4885CYP2D6 241/4885

“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.