SCHEMBL748166

SCHEMBL748166

CC(C)[N]C(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7859262 0.77 CA12 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL8172237 0.77 CA12 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL965921 0.74
SCHEMBL3833150 0.74
SCHEMBL28312106 0.70 CA12 (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL1563095 0.69
SCHEMBL965717 0.69
SCHEMBL24462 0.67
SCHEMBL9878380 0.67 ALDH1A1 (0.48) CA12CA1CA2MMP1MMP2
SCHEMBL3073891 0.65 CA12 (0.48) CA12CA1CA2MMP1MMP2

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491951-B1 BLOCK COPOLYMER FOR INTRAPERITONEAL ADMINISTRATION CONTAINING ANTI-CANCER AGENT, MICELLE PREPARATION, AND CANCER THERAPEUTIC AGENT COMPRISING THE MICELLE PREPARATION AS ACTIVE INGREDIENT NIPPON KAYAKU KK (JP) 2017-09-20 EP claimed
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2016-09-29 US claimed
EP-2070971-B1 COMPOUND OF RESORCINOL DERIVATIVE WITH POLYMER NIPPON KAYAKU KK (JP) 2016-06-22 EP claimed
EP-2080779-B1 POLYMERIC DERIVATIVE OF NUCLEIC ACID METABOLIC ANTAGONIST NIPPON KAYAKU KK (JP) 2016-05-18 EP claimed
EP-2090607-B1 POLYMERIC DERIVATIVE OF NUCLEIC ACID METABOLIC ANTAGONIST NIPPON KAYAKU KK (JP) 2015-05-20 EP claimed
US-20150011715-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2015-01-08 US claimed
EP-1580216-B1 HIGH-MOLECULAR WEIGHT DERIVATIVES OF CAMPTOTHECINS NIPPON KAYAKU KK (JP) 2014-05-14 EP claimed
US-20140072604-A1 Block Copolymer For Intraperitoneal Administration Containing Anti-Cancer Agent, Micelle Preparation Thereof, And Cancer Therapeutic Agent Comprising The Micelle Preparation As Active Ingredient NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-03-13 US claimed
US-8334364-B2 High-molecular weight derivative of nucleic acid antimetabolite NIPON KAYAKU KABUSHIKI KAISHA (JP) 2012-12-18 US claimed
US-20120231053-A1 Block Copolymer For Intraperitoneal Administration Containing Anti-Cancer Agent, Micelle Preparation Thereof, And Cancer Therapeutic Agent Comprising The Micelle Preparation As Active Ingredient NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-09-13 US claimed
US-8188222-B2 High molecular weight derivative of nucleic acid antimetabolite NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-29 US claimed
US-20100029849-A1 HIGH MOLECULAR WEIGHT DERIVATIVE OF NUCLEIC ACID ANTIMETABOLITE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-02-04 US claimed
US-20090281300-A1 HIGH-MOLECULAR WEIGHT DERIVATIVE OF NUCLEIC ACID ANTIMETABOLITE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-11-12 US claimed
US-20090239782-A1 High-molecular weight conjugate of resorcinol derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-09-24 US claimed
EP-2090607-A1 POLYMERIC DERIVATIVE OF NUCLEIC ACID METABOLIC ANTAGONIST Nippon Kayaku Kabushiki Kaisha (JP) 2009-08-19 EP claimed
EP-2080779-A1 POLYMERIC DERIVATIVE OF NUCLEIC ACID METABOLIC ANTAGONIST Nippon Kayaku Kabushiki Kaisha (JP) 2009-07-22 EP claimed
EP-2070971-A1 COMPOUND OF RESORCINOL DERIVATIVE WITH POLYMER Nippon Kayaku Kabushiki Kaisha (JP) 2009-06-17 EP claimed
US-7495099-B2 High-molecular weight derivatives of camptothecins NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 US claimed
US-20060067910-A1 High-molecular weight derivatives of camptothecins NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-03-30 US claimed
EP-1580216-A1 HIGH-MOLECULAR WEIGHT DERIVATIVES OF CAMPTOTHECINS Nippon Kayaku Kabushiki Kaisha (JP) 2005-09-28 EP claimed

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-20090281300-A1 HIGH-MOLECULAR WEIGHT DERIVATIVE OF NUCLEIC ACID ANTIMETABOLITE POLRMT, POLN, POLI CA12 1124/4885CA1 1957/4885CA2 2542/4885
US-20140072604-A1 Block Copolymer For Intraperitoneal Administration Containing Anti-Cancer Agent, Micelle Preparation Thereof, And Cancer Therapeutic Agent Comprising The Micelle Preparation As Active Ingredient VEGFA, PDAP1, MTDH CA12 566/4885CA1 301/4885CA2 2597/4885
US-20090239782-A1 High-molecular weight conjugate of resorcinol derivatives WDR48, SLC43A1, LRAT CA12 1520/4885CA1 3281/4885CA2 3738/4885
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives WDR48, SLC43A1, LRAT CA12 1520/4885CA1 3281/4885CA2 3738/4885
US-20060067910-A1 High-molecular weight derivatives of camptothecins PCNA, ACP1, PDAP1 CA12 1104/4885CA1 1290/4885CA2 1792/4885
US-20120231053-A1 Block Copolymer For Intraperitoneal Administration Containing Anti-Cancer Agent, Micelle Preparation Thereof, And Cancer Therapeutic Agent Comprising The Micelle Preparation As Active Ingredient VEGFA, PDAP1, MTDH CA12 566/4885CA1 301/4885CA2 2597/4885

“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.