SCHEMBL461533

SCHEMBL461533

CCS(=O)(=O)Nc1cccc(Nc2cc3c(c(F)c2C)CCC(C(=O)NO)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
MAP2K1 Q02750 2/20 0.34
GHSR Q92847 1/20 0.34
GRIA2 P42262 1/20 0.33
MMP8 P22894 2/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
MMP3 P08254 1/20 0.33
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL460332 0.70 AAK1 (0.45) GRIA2
SCHEMBL436891 0.65 KDR (0.42) KDM4EHTT
SCHEMBL461564 0.64 GRIA2 (0.50) ABL1GRIA2ALDH1A1PKMHTT
SCHEMBL459415 0.63 FAAH (0.43) ALDH1A1
SCHEMBL459960 0.63 FAAH (0.48)
SCHEMBL346164 0.61 KMT2A (0.48) ABL1GHSRMAPK14HTT
SCHEMBL366547 0.61 P2RX7 (0.55) GHSR
SCHEMBL461373 0.60 ACVRL1 (0.48) GHSRMAPK14ALDH1A1
SCHEMBL345656 0.60 MAOB (0.43) KDM4EGHSRMAPK14ALDH1A1HTT
SCHEMBL459910 0.60 MTNR1B (0.58) MAPK14ALDH1A1

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 3 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
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 JAK1 263/4885KDM4E 729/4885ABL1 639/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 JAK1 668/4885KDM4E 572/4885ABL1 1687/4885

“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.