SCHEMBL436891

SCHEMBL436891

CC(C)(C)C(=O)Nc1cccc(Oc2cc3c(c(F)c2F)CCC(C(=O)NO)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
BRAF P15056 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL346777 0.72 KDM4E (0.45) KDRDUSP3NPSR1MEN1MAPT
SCHEMBL10197717 0.71 MMP8 (0.47) BRAF
SCHEMBL10197674 0.70 RAF1 (0.47) LMNABRAFHTTSMN1; SMN2
SCHEMBL345816 0.69 FAAH (0.44) BRAF
SCHEMBL345624 0.69 MTNR1A (0.51) KDRLMNABRAFHTTSMN1; SMN2
SCHEMBL344637 0.69 BRAF (0.47) KDRBRAF
SCHEMBL459415 0.66 FAAH (0.43) POLBBRAF
SCHEMBL459960 0.66 FAAH (0.48) POLB
SCHEMBL461533 0.65 JAK1 (0.35) HTTKDM4E
SCHEMBL346082 0.64 MMP3 (0.40) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDR 710/4885LMNA 1395/4885POLB 422/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDR 2753/4885LMNA 2133/4885POLB 648/4885

“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.