SCHEMBL4216172

SCHEMBL4216172

COc1cc(OC)c(/C=C/C(=O)Nc2ccc(OC)c(NCCCC(=O)O)c2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.47
▸ PLK1 P53350 3/20 0.47
▸ MET P08581 1/20 0.47
▸ NQO2 P16083 1/20 0.47
▸ FECH P22830 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43

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
SCHEMBL4216213 1.00 PTGS2 (0.47) PTGS2PLK1METNQO2FECH
SCHEMBL4214814 0.94 PLK1 (0.48) PTGS2PLK1METNQO2FECH
SCHEMBL4214773 0.94 PLK1 (0.48) PTGS2PLK1METNQO2FECH
SCHEMBL5502405 0.88 HDAC4 (0.49) PTGS2PLK1METNQO2FECH
SCHEMBL5502400 0.88 HDAC4 (0.49) PTGS2PLK1METNQO2FECH
SCHEMBL4216123 0.88 PLK1 (0.60) PTGS2PLK1METNQO2FECH
SCHEMBL4216137 0.88 PLK1 (0.60) PTGS2PLK1METNQO2FECH
SCHEMBL4211243 0.86 HDAC4 (0.53) PTGS2PLK1METNQO2FECH
SCHEMBL4211250 0.86 HDAC4 (0.53) PTGS2PLK1METNQO2FECH
SCHEMBL1635959 0.84 PTGS2 (0.48) PTGS2ALDH1A1HTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 — — EP claimed
US-7482488-B2 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-01-27 — — US claimed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 — — EP claimed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 — — US claimed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 — — EP claimed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 — — WO claimed
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 — — EP disclosed
US-7482488-B2 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-01-27 — — US disclosed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 — — EP disclosed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 — — US disclosed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 — — EP disclosed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 — — 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 (1 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-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof BCL2A1, NFE2L2, BCL2 PTGS2 371/4885PLK1 3376/4885MET 1309/4885

“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.

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