SCHEMBL6814023

SCHEMBL6814023

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2nnsc2-c2ccoc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.46
NAMPT P43490 1/20 0.41
CYP17A1 P05093 3/20 0.40
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC10 Q969S8 3/20 0.39
PRKDC P78527 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAP4K4 O95819 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL7079571 0.83 KDM4E (0.49) PSMB8NAMPTCYP17A1BCL2BECN1
SCHEMBL6815330 0.78 ALDH1A1 (0.50) PSMB8NAMPTCYP17A1HDAC1HDAC6
SCHEMBL6811054 0.74 NAMPT (0.54) PSMB8NAMPTCYP17A1BCL2BECN1
SCHEMBL6814783 0.71 LMNA (0.64) PSMB8NAMPTGAA
SCHEMBL6816387 0.71 ALDH1A1 (0.67)
SCHEMBL190015 0.70 CA12 (0.45) PSMB8NAMPTCYP17A1BCL2BECN1
SCHEMBL6816075 0.69 KDM4E (0.68) PSMB8NAMPTCYP17A1GAA
SCHEMBL13055402 0.68 CYP17A1 (0.59) PSMB8NAMPTCYP17A1MAP4K4GAA
SCHEMBL8239733 0.68 BCL2 (0.37) PSMB8CYP17A1BCL2BECN1HDAC1
SCHEMBL6814197 0.67 LMNA (0.66) PSMB8NAMPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 PSMB8 2940/4885NAMPT 3260/4885CYP17A1 4827/4885

“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.