SCHEMBL4397261

SCHEMBL4397261

Cc1ccc(CC(=S)N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MGLL Q99685 4/20 1.00
FAAH O00519 3/20 1.00
MAPT P10636 2/20 0.70
HPGD P15428 2/20 0.70
GAA P10253 2/20 0.70
APOBEC3G Q9HC16 1/20 0.70
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP2C19 P33261 2/20 0.61
LMNA P02545 1/20 0.53
NQO1 P15559 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.47
AGTR1 P30556 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL12590360 0.84 ALDH1A1 (0.72) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4399380 0.83 ALDH1A1 (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL1108678 0.83 MGLL (0.82) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4394405 0.83 ALDH1A1 (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4391628 0.83 ALDH1A1 (0.70) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL19380615 0.81 MGLL (1.00) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4397821 0.80 ALDH1A1 (0.67) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL2495551 0.80 ALDH1A1 (0.67) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL4391501 0.80 ALDH1A1 (0.68) ALDH1A1MGLLFAAHMAPTHPGD
SCHEMBL10174349 0.80 MAPT (0.68) ALDH1A1MGLLFAAHMAPTHPGD

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-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
EP-2007393-A2 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) 2008-12-31 EP disclosed
WO-2008137476-A1 ARYLTHIOACETAMIDE CARBOXYLATE DERIVATIVES AS FKBP INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISEASES BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-11-13 WO disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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 (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 ALDH1A1 760/4885MGLL 3400/4885FAAH 3672/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885MGLL 3400/4885FAAH 3672/4885

“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.