SCHEMBL3425867

SCHEMBL3425867

NC(=S)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.63
ADAMTS5 Q9UNA0 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
ATM Q13315 1/20 0.56
MRGPRX1 Q96LB2 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL3427320 0.93 ADAMTS5 (0.64) BCHEADAMTS5KMT2AMAPT
SCHEMBL25184682 0.87 ALOX12 (0.70) BCHEADAMTS5MEN1KMT2ATP53
SCHEMBL17894552 0.84 BCHE (0.63) BCHEMEN1KMT2ATP53GAA
Hydrochloric Acid SCHEMBL8202366 0.83 MRGPRX1 (0.61) BCHEMEN1KMT2ATP53GAA
SCHEMBL133802 0.83 ALOX12 (0.68) MEN1KMT2AGAAMAPTLMNA
SCHEMBL3427560 0.82 GAA (0.60) MEN1KMT2AGAAMAPTLMNA
SCHEMBL20474805 0.82 ALDH1A1 (0.68) BCHEADAMTS5MEN1KMT2ATP53
SCHEMBL25193413 0.81 ADAMTS5 (0.58) BCHEADAMTS5MEN1KMT2AGAA
Bromide SCHEMBL16927550 0.81 ALOX12 (0.65) MEN1KMT2AGAAMAPTLMNA
Hydrochloric Acid SCHEMBL4474844 0.81 ALOX12 (0.65) MEN1KMT2AGAAMAPTLMNA

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 BCHE 2692/4885ADAMTS5 3520/4885MEN1 4515/4885

“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.