SCHEMBL4270217

SCHEMBL4270217

Cc1ccccc1[C](S)S

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
HPGD P15428 2/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MYC P01106 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL18697895 0.79 TSHR (0.43) TSHRACHEHPGDERCC5FEN1
SCHEMBL1029640 0.79 HPGD (0.50) HPGDERCC5FEN1HTTSMN1; SMN2
SCHEMBL5426379 0.79 TSHR (0.43) TSHRACHEHPGDERCC5FEN1
Iodide SCHEMBL18916733 0.77 TSHR (0.41) TSHRACHEHPGDERCC5FEN1
SCHEMBL14979489 0.77 TSHR (0.41) TSHRACHEHPGDERCC5FEN1
SCHEMBL2038760 0.77 ACHE (0.53) TSHRACHEHPGDERCC5FEN1
SCHEMBL23180243 0.75 TSHR (0.39) TSHRACHEHPGDERCC5FEN1
SCHEMBL26517902 0.75 TSHR (0.39) TSHRACHEHPGDERCC5FEN1
SCHEMBL2451836 0.74 TSHR (0.50) TSHRACHEHPGDERCC5FEN1
SCHEMBL39369 0.74 TSHR (0.50) TSHRACHEHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608687-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-10-27 US disclosed
US-7592307-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-09-22 US disclosed
US-20080279922-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2008-11-13 US disclosed
US-20080152702-A1 Releasable linkage and compositions containing same ZALIPSKY SAMUEL 2008-06-26 US disclosed
EP-1880736-A1 Releasable linkage and composition containing same Alza Corporation (US) 2008-01-23 EP disclosed
US-7285622-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2007-10-23 US disclosed
US-7238368-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2007-07-03 US disclosed
EP-1701744-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2006-09-20 EP disclosed
WO-2005053749-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2005-06-16 WO disclosed
US-20050123597-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2005-06-09 US disclosed
US-6849270-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2005-02-01 US disclosed
US-20040213759-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2004-10-28 US disclosed
US-20030211079-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2003-11-13 US disclosed
US-6605299-B2 Hydrophilic polymer covalently and reversibly linked to amine-containing ligand through dithiobenzyl linkage; improves blood circulation time ALZA CORPORATION 2003-08-12 US disclosed
US-20020128195-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2002-09-12 US disclosed
US-6342244-B1 HYDROPHILIC POLYMER COVALENTLY YET REVERSIBLY LINKED TO A AMINE-CONTAINING LIGAND THROUGH A DITHIOBENZYL LINKAGE; MODIFICATION OF VARIOUS SUBSTRATES, SUCH AS POLYPEPTIDES, DRUGS AND LIPOSOMES; UPON CLEAVAGE OF THE LINKAGE, THE LIGAND ALZA CORPORATION 2002-01-29 US disclosed
EP-1173221-A2 RELEASABLE LINKAGE AND COMPOSITIONS CONTAINING SAME Alza Corporation (US) 2002-01-23 EP disclosed
WO-2000064483-A2 RELEASABLE LINKAGE AND COMPOSITIONS CONTAINING SAME ALZA CORPORATION (US) 2000-11-02 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 (6 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-20030211079-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 TSHR 3735/4885ACHE 26/4885HPGD 1261/4885
US-20020128195-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 TSHR 3735/4885ACHE 26/4885HPGD 1261/4885
US-20050123597-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 TSHR 3735/4885ACHE 26/4885HPGD 1261/4885
US-20080279922-A1 Releasable linkage and compositions containing same CD44, SHMT1, HCAR1 TSHR 3189/4885ACHE 263/4885HPGD 561/4885
US-20080152702-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 TSHR 3735/4885ACHE 26/4885HPGD 1261/4885
US-20040213759-A1 Releasable linkage and compositions containing same CD44, SHMT1, HCAR1 TSHR 3189/4885ACHE 263/4885HPGD 561/4885

“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.