SCHEMBL4398352

SCHEMBL4398352

CCN(CC)/C(Cc1ccccc1)=N/C(=S)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.41
AKR1B1 P15121 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
ABCC1 P33527 1/20 0.40
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
NPBWR1 P48145 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL4398354 1.00 ALDH1A1 (0.43) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL5028982 0.88 ALDH1A1 (0.47) ALDH1A1POLBTDP1L3MBTL1LMNA
SCHEMBL5031707 0.84 ALDH1A1 (0.44) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL5027083 0.81 MAPK1 (0.47) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4402576 0.78 POLB (0.47) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4402572 0.78 POLB (0.47) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL5028967 0.76 ALDH1A1 (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL10866850 0.73 ALDH1A1 (0.66) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4395498 0.72 ALDH1A1 (0.37) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL4395496 0.72 ALDH1A1 (0.37) ALDH1A1MAPTLMNAKMT2AHPGD

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 4 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
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 ALDH1A1 760/4885POLB 3819/4885MAPT 2854/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885POLB 3819/4885MAPT 2854/4885

“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.