SCHEMBL4282866

SCHEMBL4282866

O=C(O)CCSc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
CYP2C19 P33261 1/20 0.42
CDC25B P30305 3/20 0.41
MAP2K7 O14733 2/20 0.41
CDC25A P30304 2/20 0.41
PRNP P04156 2/20 0.41
MAPK10 P53779 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
S100A4 P26447 1/20 0.41
POLB P06746 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL7589765 0.84 HPGD (0.40) ALDH1A1NPSR1POLBHPGDHSD17B10
SCHEMBL4279967 0.81 FFAR1 (0.50) ALDH1A1CYP2C19CDC25BNPSR1S100A4
SCHEMBL24359522 0.80 GSTP1 (0.40) ALDH1A1RXFP1POLBHPGDHSD17B10
SCHEMBL1261902 0.80 ALDH1A1 (0.36) ALDH1A1POLBHPGDHSD17B10TSHR
SCHEMBL8310697 0.77 KDM4E (0.47) ALDH1A1POLBHPGDMAPTL3MBTL1
SCHEMBL5661170 0.76
SCHEMBL20528929 0.75 KIF11 (0.41) POLBL3MBTL1KMT2APTPN7
SCHEMBL6807405 0.74 ERCC5 (0.47) ALDH1A1CYP2C19POLBHPGDHSD17B10
SCHEMBL1641498 0.71 TSHR (0.56) ALDH1A1CYP2C19POLBHPGDHSD17B10
SCHEMBL27528790 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 WO disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
US-5045561-A Substituted furan sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1991-09-03 US disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP 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-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 ALDH1A1 178/4885CYP2C19 2513/4885CDC25B 4535/4885
US-20090035342-A1 Antimicrobial Devices and Compositions AAAS, AOC1, COL14A1 ALDH1A1 178/4885CYP2C19 2513/4885CDC25B 4535/4885

“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.