SCHEMBL12103290

SCHEMBL12103290

CC(C(=O)OCCSSCCO[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.82
PTGS1 P23219 7/20 0.82
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CXCL8 P10145 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
CA12 O43570 2/20 0.42

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
SCHEMBL12103328 0.89 PTGS1 (0.65) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL12106515 0.88 PTGS2 (0.64) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL5605782 0.88 PTGS2 (0.87) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL29938771 0.88 PTGS2 (0.87) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL6375235 0.88 PTGS2 (0.87) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL5604980 0.88 PTGS2 (0.87) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL5604953 0.87 PTGS2 (0.85) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL13730902 0.87 PTGS2 (0.93) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL12106521 0.87 PTGS1 (0.64) PTGS2PTGS1MAPTALDH1A1CXCR1
SCHEMBL14645072 0.86 PTGS2 (0.62) PTGS2PTGS1MAPTALDH1A1CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 US disclosed
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 US disclosed
EP-2269657-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2011-01-05 EP disclosed
EP-2266625-A2 Prodrugs Containing Novel Bio-Cleavable Linkers Piramal Life Sciences Limited (IN) 2010-12-29 EP disclosed
EP-2266623-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2010-12-29 EP disclosed
EP-2266622-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2010-12-29 EP disclosed
EP-2075011-A2 Prodrugs Containing Bio-Cleavable Linkers Piramal Life Sciences Limited (IN) 2009-07-01 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 (3 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-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 PTGS2 242/4885PTGS1 141/4885MAPT 3055/4885
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 PTGS2 242/4885PTGS1 141/4885MAPT 3055/4885
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 PTGS2 242/4885PTGS1 141/4885MAPT 3055/4885

“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.