SCHEMBL4402576

SCHEMBL4402576

CCN(CC)C(=NC(=S)NC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ABCC1 P33527 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL4402572 1.00 POLB (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4398585 0.90 ALDH1A1 (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4393320 0.90 ALDH1A1 (0.47) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4396060 0.87 CCR6 (0.51) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4393306 0.83 GLA (0.50) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4398265 0.82 NPC1 (0.55) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4398428 0.82 NPC1 (0.55) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4399983 0.81 MAPT (0.53) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4397822 0.81 MAPT (0.53) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4397899 0.80 GLA (0.55) POLBKMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 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 (2 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB POLB 3819/4885KMT2A 2707/4885SMN1; SMN2 4250/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB POLB 3819/4885KMT2A 2707/4885SMN1; SMN2 4250/4885

“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.